SCHEMBL3319862

SCHEMBL3319862

Nc1ccc(OCc2ccccc2F)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
MPO P05164 1/20 0.46
IDO1 P14902 2/20 0.46
MRGPRX4 Q96LA9 4/20 0.46
MAOB P27338 3/20 0.46
MCL1 Q07820 1/20 0.46
DHFR P00374 1/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CLCN2 P51788 1/20 0.44
PTGER1 P34995 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL17075891 0.88 MRGPRX4 (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL14855083 0.86 IDO1 (0.50) MAPTSMN1; SMN2NPC1RAB9AMPO
SCHEMBL6827032 0.84 MRGPRX4 (0.51) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL27911213 0.83 CA1 (0.50) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17858627 0.82 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8807329 0.82 IDO1 (0.46) MAPTSMN1; SMN2NPC1RAB9AIDO1
SCHEMBL14854759 0.82 MAOB (0.48) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12173112 0.82 MRGPRX4 (0.45) MAPTSMN1; SMN2NPC1RAB9AMRGPRX4
SCHEMBL2748596 0.81 MRGPRX4 (0.52) MAPTSMN1; SMN2NPC1RAB9AIDO1
SCHEMBL7886546 0.81 IDO1 (0.50) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927558-B2 Methods for detecting and reducing impurities of Lapatinib and salts thereof F.I.S.—Fabbrica Italiana Sintetici S.p.A. (IT) 2015-01-06 US claimed
EP-2489661-B1 Impurity of lapatinib and salts thereof ITALIANA SINT SPA (IT) 2013-11-13 EP claimed
US-20120295928-A1 METHODS FOR DETECTING AND REDUCING IMPURITIES OF LAPATINIB AND SALTS THEREOF F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2012-11-22 US claimed
EP-2489661-A1 Impurity of lapatinib and salts thereof F.I.S. Fabbrica Italiana Sintetici S.p.A. (IT) 2012-08-22 EP claimed
EP-1883631-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF Wyeth (US) 2008-02-06 EP claimed
WO-2006127207-A1 METHODS OF SYNTHESIZING SUBSTITUTED 3-CYANOQUINOLINES AND INTERMEDIATES THEREOF WYETH (US) 2006-11-30 WO claimed
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof WYETH (US) 2006-11-30 US claimed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 EP disclosed
EP-3222620-B1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO LTD (CN) 2019-11-20 EP disclosed
US-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 US disclosed
US-10246443-B2 Cyanoquinoline derivatives TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2019-04-02 US disclosed
EP-3222620-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-09-27 EP disclosed
EP-3222620-A1 CYANOQUINOLINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2017-09-27 EP disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
EP-0861253-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-09-02 EP disclosed
WO-1998002437-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1997013771-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1997-04-17 WO disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 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 (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-20120295928-A1 METHODS FOR DETECTING AND REDUCING IMPURITIES OF LAPATINIB AND SALTS THEREOF SRMS, ABL1, ERBB2 MAPT 3706/4885SMN1; SMN2 1871/4885NPC1 2740/4885
US-10246443-B2 Cyanoquinoline derivatives CBR3, CYP3A4, CDK1 MAPT 43/4885SMN1; SMN2 2478/4885NPC1 672/4885
US-20060270668-A1 Methods of synthesizing substituted 3-cyanoquinolines and intermediates thereof HCCS, CYP3A7, QPCT MAPT 4280/4885SMN1; SMN2 3385/4885NPC1 393/4885

“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.