SCHEMBL4538513

SCHEMBL4538513

CCOc1ccnc2cc(Br)ccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAK O14976 1/20 0.47
FBP1 P09467 1/20 0.45
ALK Q9UM73 1/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 1/20 0.44
ERBB4 Q15303 1/20 0.44
SYK P43405 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.42
PDGFRB P09619 1/20 0.41
APP P05067 2/20 0.40
DHFR P00374 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL2621790 0.87 PDGFRB (0.50) HPGDSMN1; SMN2GAKFBP1EGFR
SCHEMBL29892755 0.84 GAK (0.61) GAKFBP1ALKEGFRERBB2
SCHEMBL3304514 0.84 GAK (0.61) GAKFBP1ALKEGFRERBB2
SCHEMBL9452129 0.82 EGFR (0.50) SMN1; SMN2GAKALKEGFRPDGFRB
SCHEMBL29214659 0.81 ALK (0.42) SMN1; SMN2GAKALKEGFRSYK
SCHEMBL10377143 0.80 POLB (0.63) HPGDSMN1; SMN2GAKPOLBTHRB
SCHEMBL28175249 0.80 SYK (0.43) HPGDSMN1; SMN2SYKPOLBTHRB
SCHEMBL29214649 0.79 GAK (0.41) SMN1; SMN2GAKFBP1ALKEGFR
SCHEMBL27920759 0.79 LMNA (0.47) HPGDSMN1; SMN2GAKALKEGFR
SCHEMBL13443841 0.79 HTR1A (0.57) GAKSYKAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA THERAPEUTICS, INC. 2025-05-08 US disclosed
CN-118974019-A Certain chemical entities, compositions and methods 瑞图恩制药公司 2024-11-15 CN disclosed
WO-2023150663-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA INC. (US) 2023-08-10 WO disclosed
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
EP-3247705-B1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF AS NAMPT INHIBITORS MILLENNIUM PHARM INC (US) 2019-11-20 EP disclosed
US-10323018-B2 Quinazoline and quinoline compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-06-18 US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 US disclosed
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2018-01-11 US disclosed
EP-3247705-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2017-11-29 EP disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 WO disclosed
WO-2016118565-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-28 WO disclosed
EP-2637660-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-18 EP disclosed
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2013-09-12 US disclosed
WO-2012064642-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-05-18 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-10323018-B2 Quinazoline and quinoline compounds and uses thereof NAMPT, NQO2, NNMT HPGD 713/4885SMN1; SMN2 3803/4885GAK 2865/4885
US-20130237535-A1 FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 HPGD 487/4885SMN1; SMN2 4521/4885GAK 1515/4885
US-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS IGF1R, IGFBP1, IGFBP2 HPGD 1604/4885SMN1; SMN2 1317/4885GAK 1727/4885
US-20180009784-A1 QUINAZOLINE AND QUINOLINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HPGD 713/4885SMN1; SMN2 3803/4885GAK 2865/4885

“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.