SCHEMBL737516

SCHEMBL737516

C#Cc1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 2/20 0.54
CCR1 P32246 2/20 0.54
CCR5 P51681 2/20 0.54
CCR8 P51685 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL28307761 0.87 LMNA (0.41) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL4063821 0.80 CCR1 (0.45) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL1341511 0.79 SLC40A1 (0.55) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL4175358 0.79 KDM4E (0.54) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL29398699 0.79 SLC40A1 (0.55) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL194280 0.79 KDM4E (0.54) KDM4ELMNAMMP2TSHRCYP3A4
Hydrochloric Acid SCHEMBL27976997 0.78 SLC40A1 (0.54) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL11966088 0.76 KDM4E (0.50) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL6852617 0.76 KDM4E (0.50) KDM4ELMNAMMP2TSHRCYP3A4
SCHEMBL738267 0.75 KDM4E (0.48) KDM4ELMNATSHRMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939982-A Alkyne heterocyclic BTK inhibitor and preparation method and application thereof 药雅科技(上海)有限公司 2021-06-11 CN disclosed
CN-106661031-B Pyrrolopyrimidine compounds or its salt, pharmaceutical composition and application containing it 大鹏药品工业株式会社 2019-07-23 CN disclosed
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
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
CN-101111499-B Substituted ethynyl gold-nitrogen-containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES 2012-05-23 CN disclosed
US-8137821-B2 Substituted ethynyl gold-nitrogen containing heterocyclic carbene complex and organic electroluminescent device using the same UBE INDUSTRIES, LTD. (JP) 2012-03-20 US disclosed
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same UBE INDUSTRIES, LTD. (JP) 2009-04-09 US disclosed
CN-101111499-A Substituted ethynyl gold-nitrogenated heterocyclic carbene complex and organic electroluminescent device using same UBE INDUSTRIES (JP) 2008-01-23 CN disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP 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 (5 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 KDM4E 3124/4885LMNA 4715/4885MMP2 3608/4885
US-10174040-B2 Pyrrolopyrimidine compound or salt thereof and compositions containing the pyrrolopyrimidine compound or salt thereof KRAS, DPYD, PSTPIP2 KDM4E 697/4885LMNA 3964/4885MMP2 1354/4885
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 KDM4E 938/4885LMNA 4203/4885MMP2 2263/4885
US-20180162864-A1 PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF AND COMPOSITIONS CONTAINING THE PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF KRAS, DPYD, PSTPIP2 KDM4E 697/4885LMNA 3964/4885MMP2 1354/4885
US-20090091243-A1 Substituted Ethynyl Gold-Nitrogen Containing Heterocyclic Carbene Complex and Organic Electroluminescent Device Using the Same ACSL3, ATXN2L, ACSL1 KDM4E 1868/4885LMNA 2067/4885MMP2 4486/4885

“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.