SCHEMBL4774248

SCHEMBL4774248

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
EGFR P00533 15/20 0.50
AURKB Q96GD4 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
BRAF P15056 1/20 0.42
TNNI3K Q59H18 1/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
GRM1 Q13255 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
SCHEMBL4764461 0.91 EGFR (0.52) AURKARPS6KB1EGFRAURKBHDAC3
SCHEMBL4764403 0.90 CHUK (0.50) AURKARPS6KB1EGFRAURKBBRAF
SCHEMBL4763823 0.88 EGFR (0.49) AURKARPS6KB1EGFR
SCHEMBL4718830 0.86 EGFR (0.51) AURKARPS6KB1EGFRAURKBBRAF
SCHEMBL4769248 0.86 EGFR (0.56) AURKARPS6KB1EGFRIKBKBCHUK
SCHEMBL4772569 0.81 EGFR (0.50) AURKARPS6KB1EGFRAURKBBRAF
SCHEMBL4764445 0.81 EGFR (0.48) AURKARPS6KB1EGFRAURKBHDAC3
SCHEMBL4765901 0.80 EGFR (0.54) AURKARPS6KB1EGFR
SCHEMBL4766773 0.80 EGFR (0.47) AURKARPS6KB1EGFRAURKBBRAF
SCHEMBL4766665 0.79 EGFR (0.54) EGFR

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
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
CN-1538847-A 4-amino-6-phenyl-pyrrolo [2, 3-d ] pyrimidine derivatives ��˹��ŵ�� 2004-10-20 CN 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 AURKA 444/4885RPS6KB1 677/4885EGFR 1650/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP AURKA 1206/4885RPS6KB1 761/4885EGFR 3391/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS AURKA 875/4885RPS6KB1 606/4885EGFR 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.