SCHEMBL4766962

SCHEMBL4766962

CN(C)C(=O)c1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CLK4 Q9HAZ1 3/20 0.53
CYP3A4 P08684 3/20 0.53
USP2 O75604 2/20 0.53
LMNA P02545 2/20 0.53
CYP2D6 P10635 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.53
BRAF P15056 5/20 0.53
TNNI3K Q59H18 5/20 0.53
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
EGFR P00533 7/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2C9 P11712 1/20 0.47
ATR Q13535 1/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ABL1 P00519 2/20 0.46
ABL2 P42684 2/20 0.46

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
SCHEMBL7497533 0.90 BRAF (0.51) BRAFTNNI3KTTBK1TTBK2EGFR
SCHEMBL7492081 0.88 EGFR (0.58) BRAFTNNI3KTTBK1TTBK2EGFR
SCHEMBL7497707 0.87 BRAF (0.54) CYP1A2CYP3A4LMNACYP2D6ALDH1A1
SCHEMBL7498074 0.85 EGFR (0.57) BRAFTNNI3KTTBK1TTBK2EGFR
SCHEMBL7494933 0.84 EGFR (0.61) BRAFTNNI3KTTBK1TTBK2EGFR
SCHEMBL7494298 0.84 BRAF (0.51) BRAFTNNI3KTTBK1TTBK2EGFR
SCHEMBL4764786 0.84 LMNA (0.56) LMNAALDH1A1BRAFTNNI3KTTBK1
SCHEMBL7496028 0.83 NUDT1 (0.57) CYP1A2CYP3A4LMNACYP2D6ALDH1A1
SCHEMBL7498606 0.83 BRAF (0.66) CLK4MAPK1BRAFTNNI3KTTBK1
SCHEMBL4770048 0.83 EGFR (0.60) CYP1A2CYP3A4CYP2D6BRAFTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1100778-C Pyrrolopyrimidines and process for their preparation NOVARTIS CO (CH) 2003-02-05 CN claimed
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP claimed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP claimed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO claimed
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
EP-0836605-B1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 2002-02-06 EP disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 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 CYP1A2 410/4885CLK4 3741/4885CYP3A4 382/4885
US-20040248911-A1 7H-pyrrolo[2,3-d]pyrimidine derivatives DPYD, DHPS, TYMP CYP1A2 247/4885CLK4 4531/4885CYP3A4 562/4885
US-20040242600-A1 4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidine derivatives DPYD, TYMP, TYMS CYP1A2 512/4885CLK4 4167/4885CYP3A4 468/4885

“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.