SCHEMBL4765652

SCHEMBL4765652

O=C(CCl)NCc1ccc(-c2cc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.56
AURKB Q96GD4 3/20 0.56
INCENP Q9NQS7 1/20 0.56
PRMT5 O14744 8/20 0.55
ERBB2 P04626 5/20 0.53
KDR P35968 2/20 0.53
RET P07949 2/20 0.51
CSF1R P07333 1/20 0.51
TTBK1 Q5TCY1 1/20 0.50
TTBK2 Q6IQ55 1/20 0.50
CHEK2 O96017 1/20 0.50
ROS1 P08922 1/20 0.50
FLT3 P36888 1/20 0.50
ERBB4 Q15303 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49

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
SCHEMBL4770529 0.89 EGFR (0.55) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4764411 0.86 EGFR (0.53) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4763947 0.86 PRMT5 (0.64) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4766172 0.85 PRMT5 (0.58) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4764558 0.81 EGFR (0.63) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4764020 0.80 EGFR (0.60) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4764461 0.80 EGFR (0.52) EGFRAURKBERBB2KDRRET
SCHEMBL4771238 0.79 EGFR (0.59) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4768646 0.79 EGFR (0.61) EGFRAURKBINCENPPRMT5ERBB2
SCHEMBL4764456 0.78 PRMT5 (0.66) EGFRAURKBINCENPPRMT5CSF1R

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 EGFR 1650/4885AURKB 415/4885INCENP 2197/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP EGFR 3391/4885AURKB 964/4885INCENP 1796/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS EGFR 2694/4885AURKB 818/4885INCENP 2752/4885

“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.