SCHEMBL802049

SCHEMBL802049

Cc1ccccc1-c1cc2cnccc2c(Nc2n[nH]c3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.53
PRKCH P24723 7/20 0.47
PRKCE Q02156 7/20 0.47
PRKCQ Q04759 7/20 0.47
PRKCD Q05655 7/20 0.47
FADS1 O60427 2/20 0.41
PRKCB P05771 4/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
KDR P35968 1/20 0.39
ADRA2A P08913 2/20 0.39
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TRPA1 O75762 1/20 0.38
PRKCA P17252 3/20 0.37

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
SCHEMBL10268905 0.84 GRM4 (0.50) GRM4PRKCHPRKCEPRKCQPRKCD
SCHEMBL801658 0.83 GRM4 (0.48) GRM4PIM1PIM2KDRCYP1A2
SCHEMBL802674 0.82 GSK3A (0.44) GRM4FADS1ADRA2ACYP1A2ALDH1A1
SCHEMBL801648 0.81 SYK (0.44) GRM4FADS1KDRADRA2ACYP1A2
SCHEMBL802679 0.80 GRM4 (0.44) GRM4
SCHEMBL802337 0.78 GRM4 (0.45) GRM4PRKCHPRKCEFADS1ADRA2A
SCHEMBL802350 0.76 EGFR (0.41) GRM4FADS1ADRA2ACYP1A2ALDH1A1
SCHEMBL802280 0.76 FADS1 (0.42) GRM4FADS1ADRA2AALDH1A1ALOX15
SCHEMBL802326 0.76 FADS1 (0.48) GRM4FADS1KDRADRA2ACYP1A2
SCHEMBL802671 0.75 FADS1 (0.41) GRM4FADS1ADRA2ACYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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 (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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GRM4 3726/4885PRKCH 256/4885PRKCE 197/4885

“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.