SCHEMBL9501188

SCHEMBL9501188

Cc1cccc(C)c1N=CNc1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.43
▸ GRIN3B O60391 2/20 0.43
▸ GRIN1 Q05586 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GRIN2B Q13224 2/20 0.43
▸ GRIN2C Q14957 2/20 0.43
▸ GRIN3A Q8TCU5 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ CYP2C9 P11712 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32

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
SCHEMBL9501612 1.00 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1608125 0.75 RAPGEF4 (0.44) ALDH1A1
SCHEMBL9530887 0.73 TSHR (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1608098 0.73 RAPGEF4 (0.43) ALDH1A1
SCHEMBL9530892 0.73 TSHR (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1608097 0.73 RAPGEF4 (0.43) ALDH1A1
SCHEMBL1608671 0.73 RAPGEF4 (0.38) KMT2AALDH1A1
SCHEMBL4350534 0.72 ATM (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4350537 0.72 ATM (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7692381 0.72 MEN1 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317508-B1 AMINIC ORTHOESTER STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1993-06-23 — — EP claimed
US-4939300-A Polymer stabilizer; oxidation, heat, and actinic radiation resistance CIBA-GEIGY CORPORATION (US) 1990-07-03 — — US claimed
EP-0317508-A2 Aminic orthoester stabilized compositions CIBA-GEIGY AG (CH) 1989-05-24 — — EP claimed
US-9962689-B2 Phosphinyl formamidine compounds, metal complexes, catalyst systems, and their use to oligomerize or polymerize olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2018-05-08 — — US disclosed
US-20160375431-A1 Phosphinyl Formamidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins CHEVRON PHILLIPS CHEMICAL COMPANY LP 2016-12-29 — — US disclosed
EP-0317508-B1 AMINIC ORTHOESTER STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1993-06-23 — — EP disclosed
US-4939300-A Polymer stabilizer; oxidation, heat, and actinic radiation resistance CIBA-GEIGY CORPORATION (US) 1990-07-03 — — US disclosed
EP-0317508-A2 Aminic orthoester stabilized compositions CIBA-GEIGY AG (CH) 1989-05-24 — — 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-20160375431-A1 Phosphinyl Formamidine Compounds, Metal Complexes, Catalyst Systems, and Their Use to Oligomerize or Polymerize Olefins NIT2, INF2, PFAS GRIN2D 1197/4885GRIN3B 465/4885GRIN1 308/4885

“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.

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