SCHEMBL5673303

SCHEMBL5673303

[c]1nccn1-c1ccco1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL1903234 0.67 TP53 (0.34) MEN1ALDH1A1KMT2A
SCHEMBL20185030 0.67
SCHEMBL7093049 0.64 ADORA2A (0.45) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL27301980 0.63 ALDH1A1 (0.38) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL1802262 0.63 MAPK1 (0.40) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5674957 0.63 CYP3A4 (0.48) MEN1ALDH1A1KMT2AMAPK1
SCHEMBL5757031 0.62 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL978863 0.61
SCHEMBL6512058 0.61 POLB (0.31)
SCHEMBL9515906 0.61

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof IMPACT THERAPEUTICS, INC. (CN) 2020-06-09 US disclosed
EP-3536320-A1 APPLICATION OF HEDGEHOG PATHWAY INHIBITOR FOR TREATMENT OF FIBROTIC DISEASES Impact Therapeutics, Inc (CN) 2019-09-11 EP disclosed
US-20190255042-A1 APPLICATION OF HEDGEHOG PATHWAY INHIBITOR IN TREATING FIBROSIS DISEASES Impact Therapeutics (Shanghai), Inc (CN) 2019-08-22 US disclosed
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof IMPACT THERAPEUTICS, INC. (CN) 2015-07-09 US disclosed
EP-2875005-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF Impact Therapeutics, Inc. (CN) 2015-05-27 EP disclosed
WO-2014012511-A1 N-(3-HETEROARYLARYL)-4-ARYLARYLCARBOXAMTDES AND ANALOGS AS HEDGEHOG PATHWAY INHIBITORS AND USE THEREOF IMPACT THERAPEUTICS, INC. (CN) 2014-01-23 WO disclosed
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
WO-2004069829-A1 (2S)-2-((PYRIMIDIN-4-YL)AMINO)-4-METHYLPENTANOIC ACID AMINOETHYLAMID DERIVATIVES AS IL-8 RECEPTOR MODULATORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND RHEUMATOID ARTHRITIS PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2004-08-19 WO disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 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-10676468-B2 N-(3-heteroarylaryl)-4-arylarylcarboxamides and analogs as hedgehog pathway inhibitors and use thereof SHH, GLI1, SMO MEN1 2651/4885ALDH1A1 493/4885KMT2A 884/4885
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 MEN1 4787/4885ALDH1A1 1217/4885KMT2A 3913/4885
US-20190255042-A1 APPLICATION OF HEDGEHOG PATHWAY INHIBITOR IN TREATING FIBROSIS DISEASES SHH, GLI1, SMO MEN1 3372/4885ALDH1A1 418/4885KMT2A 2399/4885
US-20150191460-A1 N-(3-heteroarylaryl)-4-arylarylcarboxamides and Analogs as Hedgehog Pathway Inhibitors and Use Thereof SHH, GLI1, SMO MEN1 2651/4885ALDH1A1 493/4885KMT2A 884/4885

“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.