SCHEMBL10370542

SCHEMBL10370542

CCCn1nc(N)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.47
SLC9A1 P19634 1/20 0.46
POLB P06746 2/20 0.44
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 3/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR1 P03372 1/20 0.40
CCNT1 O60563 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
SCHEMBL4589328 0.88 CNR1 (0.50) GLSSLC9A1CNR1CNR2TLR8
SCHEMBL14216404 0.85 SLC9A1 (0.43) GLSSLC9A1ADORA2AADORA2BALDH1A1
SCHEMBL3105522 0.84 GLS (0.45) GLSCNR1CNR2TSHRSCN9A
SCHEMBL10831636 0.83 GLS (0.45) GLSPOLBCNR2
SCHEMBL17045395 0.82 SCN9A (0.46) GLSALDH1A1MAPTTSHRMAPK1
SCHEMBL10831157 0.82 CNR1 (0.41) GLSSLC9A1CNR1CNR2TLR8
SCHEMBL30860192 0.81 SCN9A (0.55) GLSCNR1CNR2KDM4CALDH1A1
Hydrochloric Acid SCHEMBL15526349 0.80 GLS (0.43) GLSCNR1CNR2ALDH1A1LMNA
SCHEMBL19596918 0.80 GLS (0.72) GLSSLC9A1POLBADORA2AADORA2B
SCHEMBL10369151 0.80 SLC6A4 (0.47) GLSPOLBALDH1A1LMNAMAPT

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-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2019-05-09 US disclosed
EP-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 EP disclosed
US-4751302-A ANTIINFLAMMATORY, ANTIULCER AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-06-14 US disclosed
US-4585869-A ANTIINFLAMMATORY, ANALGESIC, ANTIULCER ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1986-04-29 US disclosed
US-4549023-A ANTINFLAMMATORY AGENTS, ANALGESICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-10-22 US disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 US disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed
US-4474964-A 3-Aminoindazole derivatives ASAHI, KASEI, KOGYO, KABUSHIKI, KAISHA (JP) 1984-10-02 US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed
EP-0049779-A1 3-Aminoindazole derivatives and process for preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-04-21 EP 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-20190135765-A1 NOVEL PYRIMIDINE-4-CARBOXYLIC ACID DERIVATIVE HAVING ANTICANCER ACTIVITY DPYD, TYMS, TYMP GLS 628/4885SLC9A1 4029/4885POLB 998/4885

“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.