SCHEMBL4832417

SCHEMBL4832417

Cc1ncn(-c2ccccc2C#N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KCNN4 O15554 1/20 0.36
ALOX5AP P20292 1/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
KMT2A Q03164 1/20 0.34
RPS6KB1 P23443 1/20 0.33
ROCK1 Q13464 1/20 0.33
PHGDH O43175 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL18773501 0.81 ALOX5AP (0.39) KDM4ESMN1; SMN2ALOX5AP
SCHEMBL964746 0.78 KDM4E (0.49) KDM4EMAPTUSP2MAPK1SMN1; SMN2
SCHEMBL2076006 0.78 KDM4E (0.36) KDM4EUSP2MAPK1ALOX5AP
SCHEMBL16201996 0.77 FLT3 (0.44) TSHRMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL8304308 0.76 ESR2 (0.46) KDM4ETSHRMAPK1
SCHEMBL21030746 0.76 ALOX5AP (0.36) KDM4ESMN1; SMN2ALOX5AP
SCHEMBL14321145 0.75 ALOX5AP (0.36) KDM4ETSHRMAPTALOX5APKMT2A
SCHEMBL14321124 0.75 ALOX5AP (0.36) KDM4EALOX5AP
SCHEMBL27549526 0.75 KDM4E (0.55) KDM4ETSHRMAPTSMN1; SMN2HIF1A
SCHEMBL28303685 0.74 ACHE (0.44) KDM4EMAPTMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476670-A Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2019-03-15 CN claimed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP claimed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed
CN-109476670-A Bicyclic heteroaryl derivatives 豪夫迈·罗氏有限公司 2019-03-15 CN disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
US-7419969-B2 HIV integrase inhibitors: cyclic pyrimidinone compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-09-02 US disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
WO-2007058646-A1 HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-24 WO disclosed
US-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds ROBERT BOSCH GMBH (DE) 2006-05-18 US 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 (1 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-20060106007-A1 HIV integrase inhibitors: cyclic pyrimidinone compounds TYMP, TYMS, SAMHD1 KDM4E 913/4885TSHR 4793/4885MAPT 3137/4885

“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.