SCHEMBL3109912

SCHEMBL3109912

CN(c1ccccc1)c1ncnc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 1.00
CSF1R P07333 6/20 0.68
PDGFRB P09619 1/20 0.60
PDGFRA P16234 1/20 0.60
PDE5A O76074 2/20 0.57
HDAC1 Q13547 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56

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
Hydrochloric Acid SCHEMBL6182107 0.98 EGFR (0.97) EGFRCSF1RPDGFRBPDGFRAPDE5A
SCHEMBL3119399 0.88 EGFR (0.79) EGFRCSF1RPDGFRBPDGFRAHDAC1
SCHEMBL18088097 0.87 EGFR (0.77) EGFRCSF1RPDGFRBPDGFRAHDAC1
SCHEMBL3112121 0.84 EGFR (0.72) EGFRCSF1RPDGFRBPDGFRAHDAC1
SCHEMBL3122421 0.83 EGFR (0.70) EGFRCSF1RPDGFRBPDGFRA
Hydrochloric Acid SCHEMBL6181651 0.82 EGFR (0.68) EGFRCSF1RPDGFRBPDGFRA
SCHEMBL8900055 0.81 EGFR (0.69) EGFRCSF1R
SCHEMBL3123760 0.81 CSF1R (1.00) EGFRCSF1RPDGFRBPDGFRA
SCHEMBL4354965 0.81 EGFR (0.70) EGFRCSF1RPDGFRBPDGFRA
SCHEMBL11083826 0.81 CSF1R (0.79) EGFRCSF1RPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INC. 2017-02-23 US disclosed
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF MYREXIS, INC. (US) 2013-01-31 US disclosed
US-8309562-B2 Compounds and therapeutical use thereof MYREXIS, INC. (US) 2012-11-13 US disclosed
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF Myriad Pharmaceuticals, Incorporated (US) 2010-03-18 US disclosed
US-7618975-B2 4-arylamino-quinazolines and analogs as activators of caspases and inducers of apoptosis and the use thereof MYRIAD PHARMACEUTICALS, INC. (US) 2009-11-17 US disclosed
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2008-02-14 US disclosed
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-25 US disclosed
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-10-18 US disclosed
US-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF MYRIAD GENETICS, INCORPORATED (US) 2007-09-06 US disclosed
EP-1660092-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Myriad Genetics, Inc. (US) 2006-05-31 EP disclosed
US-20050137213-A1 Compounds and therapeutical use thereof MYRIAD GENETICS, INCORPORATED (US) 2005-06-23 US disclosed
WO-2005003100-A2 4-ARYLAMINO-QUINAZOLINES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS MYRIAD GENETICS, INC. (US) 2005-01-13 WO disclosed
US-5616582-A Use as anticancer agents; e.g. gefitinib ZENECA LIMITED (GB) 1997-04-01 US disclosed
EP-0520722-B1 Therapeutic preparations containing quinazoline derivatives ZENECA LTD (GB) 1996-12-27 EP disclosed
EP-0566226-B1 Quinazoline derivatives ZENECA LTD (GB) 1995-11-08 EP disclosed
US-5457105-A anticancer use; e.g. 4-(3'-chloro-4'-fluoroanilino)-6,7-dimethoxyquinazoline (gefitinib) ZENECA LIMITED (GB) 1995-10-10 US disclosed
EP-0566226-A1 Quinazoline derivatives ZENECA LIMITED (GB) 1993-10-20 EP disclosed
EP-0520722-A1 Therapeutic preparations containing quinazoline derivatives ZENECA LIMITED (GB) 1992-12-30 EP disclosed
US-4464375-A ANALGESIC, ANTIINFLAMMATORY SANKYO CO., LTD. (JP) 1984-08-07 US disclosed
US-4322420-A Method of using 4-anilinoquinazoline derivatives as analgesic and anti-inflammatory agents SANKYO COMPANY LIMITED (JP) 1982-03-30 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 (8 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-20070208044-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885
US-20130029942-A1 COMPOUNDS AND THERAPEUTICAL USES THEREOF BAD, CASP3, BAX EGFR 3147/4885CSF1R 3520/4885PDGFRB 2783/4885
US-20100069383-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2648/4885CSF1R 3139/4885PDGFRB 2627/4885
US-20070244113-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885
US-20170050937-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885
US-20050137213-A1 Compounds and therapeutical use thereof BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885
US-20080039479-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885
US-20070249601-A1 COMPOUNDS AND THERAPEUTICAL USE THEREOF BAD, CASP3, BAX EGFR 2915/4885CSF1R 3082/4885PDGFRB 2620/4885

“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.