SCHEMBL4069403

SCHEMBL4069403

CC(C)Nc1ncnc2[nH]c(-c3ccc(CN4CCN(C)CC4)cc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.67
EGFR P00533 6/20 0.67
ERBB2 P04626 4/20 0.67
STK10 O94804 1/20 0.67
MAP4K4 O95819 1/20 0.67
ABL1 P00519 1/20 0.67
YES1 P07947 1/20 0.67
RET P07949 1/20 0.67
PDGFRB P09619 1/20 0.67
BCR P11274 1/20 0.67
FLT1 P17948 1/20 0.67
ERBB3 P21860 1/20 0.67
WEE1 P30291 1/20 0.67
ABL2 P42684 1/20 0.67
NEK3 P51956 1/20 0.67
LIMK1 P53667 1/20 0.67
LIMK2 P53671 1/20 0.67
EPHB4 P54760 1/20 0.67
ACVR1 Q04771 1/20 0.67
TNK2 Q07912 1/20 0.67

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
SCHEMBL93737 0.88 EGFR (0.86) KDREGFRERBB2STK10MAP4K4
SCHEMBL93738 0.88 EGFR (0.86) KDREGFRERBB2STK10MAP4K4
SCHEMBL4067576 0.88 KDR (0.60) KDREGFRERBB2STK10MAP4K4
SCHEMBL4765893 0.88 EGFR (0.73) KDREGFRERBB2STK10MAP4K4
Ammonia Solution, Strong SCHEMBL4467562 0.84 KDR (0.56) KDREGFRERBB2STK10MAP4K4
SCHEMBL4066503 0.84 KDR (0.58) KDREGFRERBB2STK10MAP4K4
SCHEMBL5100203 0.84 CSF1R (0.58) KDREGFRERBB2STK10MAP4K4
SCHEMBL5794775 0.83 KDR (0.51) KDREGFRERBB2STK10MAP4K4
SCHEMBL4458514 0.83 CSF1R (0.72) KDREGFRERBB2STK10MAP4K4
SCHEMBL4467559 0.82 CSF1R (0.55) KDREGFRERBB2STK10MAP4K4

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
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US claimed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP claimed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US claimed
EP-1718651-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES Novartis AG (CH) 2006-11-08 EP claimed
WO-2005077951-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-08-25 WO claimed
US-7625894-B2 Pyrrolo[2,3-d]Pyrimidines as Protein Tyrosine Kinase Inhibitors NOVARTIS AG (CH) 2009-12-01 US disclosed
EP-1718651-B1 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20070135460-A1 7H-pyrrolopyrimidine derivatives CARAVATTI GIORGIO 2007-06-14 US disclosed
EP-1718651-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES Novartis AG (CH) 2006-11-08 EP disclosed
WO-2005077951-A2 7H-PYRROLOPYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2005-08-25 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 (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-20070135460-A1 7H-pyrrolopyrimidine derivatives DPYD, TYMP, DHPS KDR 2846/4885EGFR 2803/4885ERBB2 1263/4885

“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.