SCHEMBL3971917

SCHEMBL3971917

Cc1c(N)ccc(Cl)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 10/20 0.52
TSHR P16473 8/20 0.52
PIK3CA P42336 1/20 0.52
TP53 P04637 2/20 0.40
CD44 P16070 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
THRB P10828 1/20 0.36
ADORA2A P29274 1/20 0.34
IKBKB O14920 1/20 0.33

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
SCHEMBL27728046 0.83 CD44 (0.54) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL29384787 0.82 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL6681654 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL33944 0.82 CYP3A4 (0.62) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL30181379 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL8282372 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL3871698 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL2906897 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL2361143 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
Hydrochloric Acid SCHEMBL21879618 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATP53

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-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor MEDSHINE DISCOVERY INC. (CN) 2023-05-23 US disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-20230119573-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
CN-107974485-A Ammonia quantitative approach, quantification kit, testing piece and ammonia proportioning device 爱科来株式会社 2018-05-01 CN disclosed
CN-101665570-B Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL CO LTD 2011-09-14 CN disclosed
CN-101665570-A Method for synthesizing low-chloride polyphenylene sulfide resin DEYANG KEJI HI TECH MATERIAL C 2010-03-10 CN disclosed
EP-2046559-A2 DUAL CURE ADHESIVE FORMULATIONS LORD CORPORATION (US) 2009-04-15 EP disclosed
WO-2008014466-A2 DUAL CURE ADHESIVE FORMULATIONS LORD CORPORATION (US) 2008-01-31 WO disclosed
EP-0252603-A2 Adhesives for ceramics and processes for the bonding of ceramics using same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-01-13 EP disclosed
EP-0238672-A1 PROCESS FOR DEOXIDIZING ALCOHOL Yamasa Shoyu Kabushiki Kaisha (JP) 1987-09-30 EP disclosed
EP-0034945-B1 N-PHENYLPYRAZOLE DERIVATIVES MAY & BAKER LIMITED (GB) 1985-08-07 EP disclosed
US-4496390-A WEED-CONTRTOLLING HERBICIDES MAY & BAKER LIMITED (GB) 1985-01-29 US disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 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 (1 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-11655248-B2 Pyridone-pyrimidine derivative acting as KRAS G12C mutein inhibitor KRAS, NRAS, MSH2 ALDH1A1 2032/4885CYP3A4 3267/4885TSHR 4157/4885

“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.