SCHEMBL398253

SCHEMBL398253

Cn1ccc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.51
CYP2A6 P11509 1/20 0.50
CDC7 O00311 1/20 0.49
MAPT P10636 4/20 0.49
CYP1A2 P05177 1/20 0.45
CYP19A1 P11511 1/20 0.44
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41

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
SCHEMBL5133705 0.91 PRKCI (0.50) HTR7CYP2A6CDC7MAPTCYP1A2
SCHEMBL1098394 0.86 CYP19A1 (0.51) HTR7CYP2A6MAPTCYP1A2CYP19A1
SCHEMBL26697740 0.81 ALDH1A1 (0.43) HTR7CYP2A6MAPTTSHRALDH1A1
SCHEMBL29936240 0.81 ALDH1A1 (0.43) HTR7CYP2A6MAPTTSHRALDH1A1
SCHEMBL13940643 0.79 CYP2A6 (0.47) HTR7CYP2A6CDC7L3MBTL1
SCHEMBL15712293 0.79 HTR7 (0.62) HTR7CDC7MAPTCYP1A2CYP19A1
SCHEMBL27797963 0.79 CDC7 (0.49) HTR7CDC7MAPTCYP1A2TSHR
SCHEMBL5150336 0.79 CDC7 (0.49) HTR7CDC7MAPTCYP1A2TSHR
SCHEMBL16455706 0.78 L3MBTL1 (0.56) HTR7MAPTTSHRALDH1A1TDP1
SCHEMBL29613208 0.78 L3MBTL1 (0.56) HTR7MAPTTSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240190849-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. 2024-06-13 US disclosed
CN-111164074-B Heat shock protein 90 inhibitors 台北医学大学 2024-02-02 CN disclosed
EP-4297873-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE Tyra Biosciences, Inc. (US) 2024-01-03 EP disclosed
CN-117136184-A Aminopyrimidine compounds and methods of use thereof 泰拉生物科学公司 2023-11-28 CN disclosed
CN-116655599-A Synthesis and application of EGFR allosteric inhibitors 江南大学 2023-08-29 CN disclosed
US-20230115945-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. 2023-04-13 US disclosed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-4085055-A1 AMINOPYRIMIDINE COMPOUNDS Tyra Biosciences, Inc. (US) 2022-11-09 EP disclosed
US-11479528-B2 Heat shock protein 90 inhibitors TAIPEI MEDICAL UNIVERSITY (TW) 2022-10-25 US disclosed
WO-2022182972-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE TYRA BIOSCIENCES, INC. (US) 2022-09-01 WO disclosed
US-4403791-A Carbonless duplicating and marking systems STERLING DRUG INC. (US) 1983-09-13 US disclosed
US-4377698-A 2,4 Bis(2-indolyl-3)-4-oxobutanoic acids STERLING DRUG INC. (US) 1983-03-22 US disclosed
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4275121-A Carbonless duplicating and marking systems utilizing indolyl-substituted furanone color formers STERLING DRUG INC. (US) 1981-06-23 US disclosed
US-4257954-A INDOLYL-PHENYLSULFONYL-PHENYL METHANE STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4075224-A 3,5-Bis (indolyl)-5-(indolyl)-2(5H)-furanones STERLING DRUG INC. (US) 1978-02-21 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-20230115945-A1 AMINOPYRIMIDINE COMPOUNDS FGFR2, FGFR1, FGFR4 HTR7 3202/4885CYP2A6 3325/4885CDC7 624/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HTR7 1182/4885CYP2A6 4206/4885CDC7 646/4885
US-11479528-B2 Heat shock protein 90 inhibitors HSP90AB1, HSP90AB2P, HSP90AA1 HTR7 2487/4885CYP2A6 3922/4885CDC7 450/4885
US-20240190849-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE DPYD, TYMP, TYMS HTR7 1199/4885CYP2A6 348/4885CDC7 1552/4885

“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.