SCHEMBL10162903

SCHEMBL10162903

Nc1ncc(Br)nc1NCc1cc2cccnc2cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
NPC1 O15118 2/20 0.37
MET P08581 10/20 0.36
CASP6 P55212 1/20 0.35
SYK P43405 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL12878216 0.87 DHFR (0.37) DHFRNPC1METCASP6SYK
SCHEMBL1163132 0.80 NPC1 (0.53) DHFRNPC1METSYKHTT
SCHEMBL6522352 0.80 SYK (0.38) METSYKEGFR
SCHEMBL29869683 0.77 KDM4E (0.40) NPC1KDM4EHSP90AA1HSP90AB1EGFR
SCHEMBL1329723 0.77 CASP6 (0.44) DHFRMETCASP6SYKHTT
SCHEMBL1163524 0.76 MET (0.40) MET
SCHEMBL31037113 0.74 CSF1R (0.48) MET
SCHEMBL15606358 0.73 CSF1R (0.42)
SCHEMBL16520982 0.72 SYK (0.44) DHFRMETSYK
SCHEMBL1163489 0.72 MET (0.41) NPC1METCASP6HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8507676-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-08-13 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410264-B2 Heterocyclic oxime compounds NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2012-11-29 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 US disclosed
EP-2018383-B1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PROD INC (US) 2011-11-09 EP disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS NOVARTIS AG (CH) 2011-03-17 US disclosed
US-7732604-B2 Triazolopyrazine derivatives PFIZER INC. (US) 2010-06-08 US disclosed
US-7732604-B2 Triazolopyrazine derivatives PFIZER INC. (US) 2010-06-08 US disclosed
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US disclosed
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2010-04-29 US disclosed
WO-2007132308-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PRODUCTS INC. (US) 2007-11-22 WO disclosed
US-20070265272-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2007-11-15 US disclosed
US-20070265272-A1 TRIAZOLOPYRAZINE DERIVATIVES PFIZER INC. 2007-11-15 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 (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-20070265272-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 DHFR 821/4885NPC1 2420/4885MET 2876/4885
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET DHFR 628/4885NPC1 3359/4885MET 1/4885
US-20110065708-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 DHFR 528/4885NPC1 4742/4885MET 1/4885
US-20100105656-A1 TRIAZOLOPYRAZINE DERIVATIVES JAK2, ABL1, CCND2 DHFR 821/4885NPC1 2420/4885MET 2876/4885
US-20120302570-A1 HETEROCYCLIC OXIME COMPOUNDS MET, ERBB2, TIE1 DHFR 528/4885NPC1 4742/4885MET 1/4885

“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.