SCHEMBL2906897

SCHEMBL2906897

Cc1c(Cl)ccc(N)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 10/20 0.43
TSHR P16473 8/20 0.43
PIK3CA P42336 1/20 0.43
TP53 P04637 2/20 0.39
CD44 P16070 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL3871698 1.00 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
Hydrochloric Acid SCHEMBL21879618 0.97 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL8960736 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL30785388 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL3971917 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL2361143 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL6403160 0.79 CYP3A4 (0.46) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL30181379 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL8282372 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRPIK3CATP53
SCHEMBL900037 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN disclosed
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 EP disclosed
US-4757081-A Agriculture, horticulture KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-12 US disclosed
EP-0239391-A2 1,2,6-triphenyl-4(1H)-pyridinone and pyridinethione derivatives, production and uses thereof KUMIAI CHEMICAL INDUSTRY CO., LTD. (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-0062659-A4 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES. FMC CORP (US) 1983-01-14 EP disclosed
EP-0062659-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC Corporation (US) 1982-10-20 EP disclosed
US-4339457-A OF CYCLOPROPANECARBOXYLIC ACIDS, INSECTICIDES, MITICIDES FMC CORPORATION (US) 1982-07-13 US disclosed
WO-1982001368-A1 3-(PYRROL-1-YL)PHENYLMETHYL ESTERS AND INTERMEDIATES FMC CORP (US) 1982-04-29 WO disclosed
EP-0034945-A2 N-phenylpyrazole derivatives MAY & BAKER LIMITED (GB) 1981-09-02 EP disclosed
US-4238505-A HIGH TOXICITY FMC CORPORATION (US) 1980-12-09 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 (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-11040984-B2 Quinazoline compound for EGFR inhibition EGFR, ERBB2, ERBB4 ALDH1A1 3390/4885CYP3A4 3732/4885TSHR 2223/4885
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION EGFR, ERBB2, ERBB4 ALDH1A1 3390/4885CYP3A4 3732/4885TSHR 2223/4885
US-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 ALDH1A1 1802/4885CYP3A4 1911/4885TSHR 274/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 ALDH1A1 1802/4885CYP3A4 1911/4885TSHR 274/4885

“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.