SCHEMBL4764403

SCHEMBL4764403

CN(C)CC(=O)NCc1cccc(-c2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.50
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
EGFR P00533 16/20 0.46
AURKB Q96GD4 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43
CSF1R P07333 1/20 0.41
BRAF P15056 1/20 0.41
TNNI3K Q59H18 1/20 0.41
IKBKB O14920 1/20 0.41

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
SCHEMBL4764445 0.91 EGFR (0.48) AURKARPS6KB1EGFRAURKBERBB2
SCHEMBL4774248 0.90 AURKA (0.51) CHUKAURKARPS6KB1EGFRAURKB
SCHEMBL4772569 0.86 EGFR (0.50) CHUKAURKARPS6KB1EGFRAURKB
SCHEMBL4769248 0.85 EGFR (0.56) CHUKAURKARPS6KB1EGFRERBB2
SCHEMBL4763823 0.85 EGFR (0.49) AURKARPS6KB1EGFRERBB2ERBB4
SCHEMBL4763951 0.82 EGFR (0.58) AURKARPS6KB1EGFRERBB2
SCHEMBL4718830 0.82 EGFR (0.51) AURKARPS6KB1EGFRAURKBERBB2
SCHEMBL4764461 0.81 EGFR (0.52) AURKARPS6KB1EGFRAURKBERBB2
SCHEMBL4766773 0.81 EGFR (0.47) AURKARPS6KB1EGFRAURKBERBB2
SCHEMBL4766340 0.79 EGFR (0.48) AURKARPS6KB1EGFRERBB2ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN claimed
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed
US-7244729-B2 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives NOVARTIS AG (CH) 2007-07-17 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
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 CN claimed
CN-101560214-B 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG 2011-05-25 CN disclosed
CN-101560214-A 4-amino-6-phenyl-pyrrolo[2, 3-d]pyrimidine derivatives NOVARTIS AG (CH) 2009-10-21 CN disclosed
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 CHUK 866/4885AURKA 444/4885RPS6KB1 677/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP CHUK 1360/4885AURKA 1206/4885RPS6KB1 761/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS CHUK 1012/4885AURKA 875/4885RPS6KB1 606/4885

“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.