SCHEMBL17384691

SCHEMBL17384691

COc1cnc(OC)c(F)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.34
RECQL P46063 2/20 0.34
PIK3CA P42336 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AURKA O14965 2/20 0.33
AURKB Q96GD4 2/20 0.33
TTK P33981 1/20 0.33
INCENP Q9NQS7 1/20 0.33
MTOR P42345 2/20 0.32
KDR P35968 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL18306471 0.81 PIK3CA (0.36) HTTRECQLPIK3CAAURKAAURKB
SCHEMBL24501262 0.81 ALDH1A1 (0.32) KMT2AMEN1NPSR1ALDH1A1
SCHEMBL19783692 0.78 ULK1 (0.37) HTTRECQLPIK3CAAURKAAURKB
SCHEMBL19783681 0.78 AURKA (0.42) HTTRECQLPIK3CAKDM4EAURKA
SCHEMBL24386895 0.78 ALDH1A1 (0.34) KMT2AHTTL3MBTL1MEN1KDM4E
SCHEMBL31342297 0.78 ULK1 (0.37) HTTRECQLPIK3CAAURKAAURKB
SCHEMBL27897072 0.75 KMT2A (0.37) KMT2AHTTRECQLPIK3CAL3MBTL1
SCHEMBL24174274 0.74 HTT (0.36) HTTRECQLPIK3CAAURKAAURKB
SCHEMBL18297521 0.73 KMT2A (0.33) KMT2APIK3CAAURKAAURKBMTOR
SCHEMBL20121221 0.73 KDM4E (0.41) KMT2AHTTPIK3CAMEN1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2017111074-A1 ANTITUMOR EFFECT POTENTIATOR COMPRISING PYRROLOPYRIMIDINE COMPOUND 大鵬薬品工業株式会社 2017-06-29 WO 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
WO-2015199136-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 大鵬薬品工業株式会社 2015-12-30 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 (2 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-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 KMT2A 1304/4885HTT 2864/4885RECQL 3668/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 KMT2A 1304/4885HTT 2864/4885RECQL 3668/4885

“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.