SCHEMBL197874

SCHEMBL197874

[O]CCCC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
FAAH O00519 1/20 0.39
GNAO1 P09471 2/20 0.38
SLC6A4 P31645 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
GNAI3 P08754 1/20 0.37
GNAI1 P63096 1/20 0.37
NAMPT P43490 2/20 0.36
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35

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
SCHEMBL5662279 0.93 ITGB3 (0.41) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL4008766 0.86
SCHEMBL1097086 0.84
SCHEMBL331124 0.84 HRH3 (0.47) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL237382 0.84 ITGB3 (0.47) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8994016 0.81 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8732145 0.81 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL22582330 0.81 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
Hydrochloric Acid SCHEMBL10840761 0.81 ITGB3 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1
SCHEMBL8728914 0.81 GNAO1 (0.46) HRH3ITGB3ITGA2BFAAHGNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020228635-A1 EGFR KINASE INHIBITOR AND APPLICATION THEREOF IN PREPARING ANTI-CANCER DRUG 浙江大学 2020-11-19 WO claimed
EP-1827434-B1 QUINOLINES AND QUINAZOLINE ANALOGS AND THEIR USE AS MEDICAMENTS FOR TREATING CANCER AMGEN INC (US) 2014-01-15 EP claimed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US claimed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP claimed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US claimed
US-7652009-B2 Substituted heterocycles and methods of use AMGEM INC. (US) 2010-01-26 US claimed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US claimed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US claimed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 US claimed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 WO claimed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO claimed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO claimed
WO-2002085895-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-10-31 WO claimed
WO-2002034744-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-05-02 WO claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002030924-A1 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2002-04-18 WO claimed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO claimed
EP-1119567-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2001-08-01 EP claimed
WO-2000021955-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2000-04-20 WO claimed

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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 HRH3 252/4885ITGB3 2845/4885ITGA2B 4318/4885
US-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 HRH3 209/4885ITGB3 2882/4885ITGA2B 4211/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET HRH3 340/4885ITGB3 1246/4885ITGA2B 1908/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HRH3 331/4885ITGB3 1269/4885ITGA2B 1738/4885

“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.