SCHEMBL747870

SCHEMBL747870

CCOc1cccc(OC)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.44
ERN1 O75460 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
LMNA P02545 1/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
DAO P14920 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4180647 0.92 LMNA (0.48) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL170690 0.86 ERN1 (0.55) TLR2ERN1TLR1TLR6LMNA
SCHEMBL6540995 0.86 GAA (0.48) TLR2ERN1TLR1TLR6LMNA
SCHEMBL10612658 0.85 ALDH1A1 (0.45) TLR2ERN1TLR1TLR6LMNA
SCHEMBL26934664 0.84 ERN1 (0.43) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL34462800 0.84 BACE1 (0.45) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL3205905 0.84 BACE1 (0.45) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL27414300 0.83 SMN1; SMN2 (0.42) KCNK3KCNK9ALDH1A1SMN1; SMN2ABCG2
Bromomethane SCHEMBL28079811 0.82 ERN1 (0.52) TLR2ERN1TLR1TLR6LMNA
SCHEMBL27685686 0.82 ERN1 (0.52) TLR2ERN1TLR1TLR6LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND TAIHO PHARMACETUICAL CO., LTD. (JP) 2019-01-10 US disclosed
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-01-08 US disclosed
EP-3395345-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-31 EP disclosed
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 US disclosed
US-9963456-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD (JP) 2018-05-08 US disclosed
EP-3103802-B1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2017-11-08 EP disclosed
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-03-09 US disclosed
EP-3103802-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT Taiho Pharmaceutical Co., Ltd. (JP) 2016-12-14 EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP disclosed
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190010158-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND MCL1, TP53, DPYD TLR2 4322/4885ERN1 3883/4885TLR1 4105/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 TLR2 4537/4885ERN1 2696/4885TLR1 3813/4885
US-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TLR2 2023/4885ERN1 4004/4885TLR1 918/4885
US-20170066772-A1 NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT WASHC5, NME1, NHERF1 TLR2 4544/4885ERN1 3534/4885TLR1 3883/4885
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 TLR2 1035/4885ERN1 855/4885TLR1 1068/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 TLR2 4537/4885ERN1 2696/4885TLR1 3813/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.