SCHEMBL10102456

SCHEMBL10102456

Cc1cc2c(Cl)ncnc2cc1OCCCN1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.49
KDR P35968 2/20 0.47
FGFR1 P11362 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
EHMT2 Q96KQ7 3/20 0.47
EHMT1 Q9H9B1 3/20 0.47
SRC P12931 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ENPP1 P22413 1/20 0.46
KIT P10721 1/20 0.46
CSK P41240 1/20 0.46
EPHB4 P54760 1/20 0.46
TEK Q02763 1/20 0.46
ABCB11 O95342 1/20 0.46
RET P07949 1/20 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
SCHEMBL11953085 0.99 EGFR (0.48) EGFRKDRFGFR1FLT1FLT4
SCHEMBL11953082 0.91 SRC (0.49) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2924110 0.87 ENPP1 (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL10102463 0.87 RET (0.51) CYP2D6CYP2C19TLR9TLR7EHMT2
SCHEMBL3955512 0.86 ENPP1 (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL2921945 0.86 ENPP1 (0.65) EGFRKDRFGFR1FLT1FLT4
SCHEMBL28486124 0.85 KDR (0.51) EGFRKDRFGFR1FLT1FLT4
SCHEMBL15960740 0.84 KDR (0.51) EGFRKDRFGFR1FLT1FLT4
SCHEMBL28051384 0.84 EGFR (0.53) EGFRKDRFGFR1FLT1FLT4
SCHEMBL4187391 0.83 ENPP1 (0.55) EGFRKDRFGFR1FLT1FLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133460-A1 LACTATE SALT OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER AND OTHER DISEASES OR DISORDERS MILLENNIUM PHAMACEUTICALS, INC. (US) 2015-05-14 US disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
US-RE43098-E1 Nitrogenous heterocyclic compounds and process for making nitrogenous heterocyclic compounds and intermediates thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-10 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 (2 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-20150133460-A1 LACTATE SALT OF 4-[6-METHOXY-7-(3-PIPERIDIN-1-YL-PROPOXY)QUINAZOLIN-4-YL]PIPERAZINE-1-CARBOXYLIC ACID(4-ISOPROPOXYPHENYL)-AMIDE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CANCER AND OTHER DISEASES OR DISORDERS GLS, GLS2, GOT2 EGFR 667/4885KDR 75/4885FGFR1 105/4885
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR EGFR 500/4885KDR 3/4885FGFR1 159/4885

“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.