SCHEMBL3778709

SCHEMBL3778709

Cc1n[nH]c2ccnc(Nc3ccc4cn[nH]c4c3)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.47
RET P07949 1/20 0.47
KDM4E B2RXH2 3/20 0.45
EIF2AK2 P19525 1/20 0.45
PDGFRB P09619 5/20 0.45
PDGFRA P16234 5/20 0.45
CDC7 O00311 2/20 0.44
IGF1R P08069 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
WEE1 P30291 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3773318 0.90 MKNK1 (0.55) KDRRETMKNK1WEE1SYK
SCHEMBL13060922 0.81 MAPT (0.45) ALDH1A1MAPT
SCHEMBL3769990 0.80 LRRK2 (0.42) KDRKDM4EALDH1A1MAPTEGFR
SCHEMBL3771457 0.79 GRM4 (0.62) CDC7CYP1A2SYK
SCHEMBL3775329 0.79 LRRK2 (0.61) KDRMAPTEGFR
SCHEMBL3775905 0.79 LRRK2 (0.46) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3762265 0.79 GRM4 (0.54) KDR
SCHEMBL3774600 0.78 LRRK2 (0.44)
SCHEMBL3775844 0.78 ADRA2A (0.50) IGF1REGFR
SCHEMBL3770441 0.77 GRM4 (0.61) ALDH1A1MAPTEGFR

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-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 KDR 797/4885RET 462/4885KDM4E 3996/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 KDR 726/4885RET 466/4885KDM4E 4033/4885

“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.