SCHEMBL4189959

SCHEMBL4189959

CCN(c1ccccc1)c1ncnc2[nH]c(-c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.58
KDR P35968 8/20 0.51
EGFR P00533 4/20 0.47
ERBB2 P04626 4/20 0.47
STK10 O94804 1/20 0.47
MAP4K4 O95819 1/20 0.47
ABL1 P00519 1/20 0.47
YES1 P07947 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
FLT1 P17948 1/20 0.47
ERBB3 P21860 1/20 0.47
WEE1 P30291 1/20 0.47
ABL2 P42684 1/20 0.47
NEK3 P51956 1/20 0.47
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
EPHB4 P54760 1/20 0.47
ACVR1 Q04771 1/20 0.47

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
SCHEMBL4342995 0.83 KDR (0.51) KDREGFRERBB2STK10MAP4K4
SCHEMBL21408869 0.83 KIT (0.61) KITKDRTBK1CSF1R
SCHEMBL3848752 0.80 KDR (0.72) KITKDREGFRERBB2STK10
SCHEMBL20305787 0.78 KIT (0.55) KITKDREGFRERBB2STK10
SCHEMBL4726959 0.75 EGFR (0.66) EGFRCSF1R
SCHEMBL4726940 0.75 EGFR (0.52) KITKDREGFRERBB2CSF1R
SCHEMBL29814489 0.75 KIT (0.53) KITKDRTBK1CSF1R
SCHEMBL27003844 0.75 KIT (0.53) KITKDRTBK1CSF1R
SCHEMBL15689394 0.74 KIT (1.00) KITCSF1R
SCHEMBL15526000 0.73 BTK (0.53) KITKDRTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247548-A1 PYRROLOPYRIMIDINE DERIVATIVES FOR TREATING PROLIFERATIVE DISEASES CARAVATTI GIORGIO 2009-10-01 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-20090247548-A1 PYRROLOPYRIMIDINE DERIVATIVES FOR TREATING PROLIFERATIVE DISEASES CCNO, CCNI, CCNA1 KIT 2162/4885KDR 3118/4885EGFR 2275/4885

“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.