SCHEMBL4770592

SCHEMBL4770592

COc1cc(Nc2ncnc3[nH]c(-c4ccc(CCl)cc4)cc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.48
BRAF P15056 5/20 0.46
TNNI3K Q59H18 5/20 0.46
EGFR P00533 7/20 0.42
CSF1R P07333 3/20 0.42
KIT P10721 3/20 0.41
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40

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
SCHEMBL4766319 0.90 CSF1R (0.54) RETBRAFTNNI3KEGFRCSF1R
SCHEMBL4769675 0.88 CHUK (0.48) RETBRAFTNNI3KEGFRCSF1R
SCHEMBL4769668 0.86 BRAF (0.46) RETBRAFTNNI3KEGFRKIT
SCHEMBL4769455 0.85 KDR (0.59) RETEGFRCSF1RKIT
SCHEMBL4763956 0.85 KDR (0.50) RETEGFRCSF1RKIT
SCHEMBL4766961 0.84 CSF1R (0.61) RETEGFRCSF1RKITAURKB
SCHEMBL4768505 0.78 EGFR (0.54) RETEGFRCSF1RKIT
SCHEMBL4765608 0.77 EGFR (0.52) RETBRAFEGFRAURKB
SCHEMBL4764388 0.76 PIK3CA (0.48) RETBRAFTNNI3KEGFRCSF1R
SCHEMBL4763947 0.75 PRMT5 (0.64) EGFRAURKBINCENP

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-7390805-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-06-24 US disclosed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP disclosed
US-7323469-B2 7H-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2008-01-29 US disclosed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 US disclosed
US-20070161632-A1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES BOLD GUIDO 2007-07-12 US disclosed
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives BOLD GUIDO (CH) 2004-12-09 US disclosed
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2004-12-02 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 (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 RET 1707/4885BRAF 326/4885TNNI3K 2235/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP RET 2696/4885BRAF 929/4885TNNI3K 2666/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS RET 2836/4885BRAF 1116/4885TNNI3K 2698/4885

“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.