SCHEMBL4905720

SCHEMBL4905720

COc1ccc(-c2cc3c(NC(C)c4ccccc4)ncnc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 1.00
CSF1R P07333 1/20 0.72
KDR P35968 3/20 0.71
HDAC3 O15379 2/20 0.68
HDAC4 P56524 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC7 Q8WUI4 2/20 0.68
HDAC2 Q92769 2/20 0.68
HDAC10 Q969S8 2/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC8 Q9BY41 2/20 0.68
HDAC6 Q9UBN7 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
ERBB2 P04626 1/20 0.67

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
SCHEMBL4905713 1.00 EGFR (1.00) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4897877 0.89 EGFR (0.85) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL4897872 0.89 EGFR (0.85) EGFRKDRHDAC3HDAC4HDAC1
SCHEMBL14123493 0.89 EGFR (0.80) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4766235 0.87 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4766237 0.87 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL7499430 0.87 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL12308303 0.87 EGFR (0.86) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4903330 0.87 EGFR (0.77) EGFRCSF1RKDRHDAC3HDAC4
SCHEMBL4903327 0.87 EGFR (0.77) EGFRCSF1RKDRHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US claimed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP claimed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO claimed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-08-25 US disclosed
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases AMBIT BIOSCIENCES CORPORATION 2005-07-14 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
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 WO 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 (4 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 EGFR 2358/4885CSF1R 1746/4885KDR 2667/4885
US-20050187389-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA EGFR 3080/4885CSF1R 3455/4885KDR 2208/4885
US-20050153989-A1 Pyrrolopyrimidine derivatives and analogs and their use in the treatment and prevention of diseases PRKDC, PRKCA, PRKACA EGFR 3080/4885CSF1R 3455/4885KDR 2208/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A EGFR 1171/4885CSF1R 2305/4885KDR 1887/4885

“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.