SCHEMBL220780

SCHEMBL220780

COc1cc(C#N)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
CYP3A4 P08684 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
AR P10275 3/20 0.53
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.47
APP P05067 2/20 0.46
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
KDM1A O60341 1/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GAA P10253 1/20 0.41
GAK O14976 1/20 0.40

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
SCHEMBL29559790 1.00 ALDH1A1 (0.57) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL30872985 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL1638118 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL7282985 0.85 ALDH1A1 (0.71) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL509522 0.83 AR (0.66) ALDH1A1ARKDM4EUSP2KDM1A
SCHEMBL29490258 0.83 AR (0.66) ALDH1A1ARKDM4EUSP2KDM1A
SCHEMBL6817437 0.82 TRPV4 (0.40) ALDH1A1CYP3A4TDP1TSHRHSD17B10
Diaminopyrimidine SCHEMBL28151806 0.82 HRH4 (0.45) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL17729353 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL7363736 0.82 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507243-B1 SPIROINDOLINONE PYRROLIDINES HOFFMANN LA ROCHE (CH) 2015-06-10 EP claimed
EP-2507243-A1 SPIROINDOLINONE PYRROLIDINES F. Hoffmann-La Roche AG (CH) 2012-10-10 EP claimed
CN-101362701-A 2-amino-5-hydroxypropiophenone preparation method UNIV FUDAN (CN) 2009-02-11 CN claimed
US-20260098032-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS INC (US) 2026-04-09 US disclosed
EP-4688768-A1 NOVEL METTL3 INHIBITORS AND USE THEREOF IN THERAPY Novalix (FR) 2026-02-11 EP disclosed
EP-4644387-A2 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
US-12428406-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2025-09-30 US disclosed
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2025-08-21 US disclosed
WO-2024200835-A1 NOVEL METTL3 INHIBITORS AND USE THEREOF IN THERAPY NOVALIX (FR) 2024-10-03 WO disclosed
WO-2024120471-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-13 WO disclosed
US-11897877-B2 Inhibitor compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-02-13 US disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed
US-3993619-A AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 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-12428406-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, KRAS ALDH1A1 1538/4885CYP3A4 4374/4885TDP1 92/4885
US-11897877-B2 Inhibitor compounds BUB1B, BUB1, CDK1 ALDH1A1 3742/4885CYP3A4 4599/4885TDP1 498/4885
US-20260098032-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, MDM2 ALDH1A1 4027/4885CYP3A4 2723/4885TDP1 71/4885
US-20250263404-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE PIK3CD, PTEN, PIK3CG ALDH1A1 2643/4885CYP3A4 2715/4885TDP1 1608/4885

“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.