SCHEMBL4769455

SCHEMBL4769455

CCN1CCN(Cc2ccc(-c3cc4c(Nc5ccnc(OC)c5)ncnc4[nH]3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
ERBB2 P04626 4/20 0.59
EGFR P00533 3/20 0.59
RET P07949 3/20 0.59
STK10 O94804 1/20 0.59
MAP4K4 O95819 1/20 0.59
ABL1 P00519 1/20 0.59
YES1 P07947 1/20 0.59
PDGFRB P09619 1/20 0.59
BCR P11274 1/20 0.59
FLT1 P17948 1/20 0.59
ERBB3 P21860 1/20 0.59
WEE1 P30291 1/20 0.59
ABL2 P42684 1/20 0.59
NEK3 P51956 1/20 0.59
LIMK1 P53667 1/20 0.59
LIMK2 P53671 1/20 0.59
EPHB4 P54760 1/20 0.59
ACVR1 Q04771 1/20 0.59
TNK2 Q07912 1/20 0.59

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
SCHEMBL4763956 0.93 KDR (0.50) KDRERBB2EGFRRETSTK10
SCHEMBL4766961 0.90 CSF1R (0.61) KDRERBB2EGFRRETSTK10
SCHEMBL4770678 0.88 KDR (0.59) KDRERBB2EGFRRETSTK10
SCHEMBL4764050 0.87 EGFR (0.58) KDRERBB2EGFRRETSTK10
SCHEMBL4770592 0.85 RET (0.48) EGFRRETCSF1RKIT
SCHEMBL4769675 0.83 CHUK (0.48) EGFRRETCSF1R
SCHEMBL4766319 0.83 CSF1R (0.54) EGFRRETCSF1R
SCHEMBL4766999 0.81 EGFR (0.62) KDRERBB2EGFRRETSTK10
SCHEMBL4768480 0.81 KDR (0.59) KDRERBB2EGFRRETSTK10
SCHEMBL4773238 0.81 KDR (0.59) KDRERBB2EGFRRETSTK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 US claimed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 US claimed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 US claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP 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 (3 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-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES TYMP, DPYD, CCND2 KDR 1868/4885ERBB2 539/4885EGFR 1650/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP KDR 3031/4885ERBB2 2012/4885EGFR 3391/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS KDR 2234/4885ERBB2 1341/4885EGFR 2694/4885

“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.