SCHEMBL800343

SCHEMBL800343

Cc1cc(C)c(-c2n[nH]c3ncccc23)nc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.37
▸ CCR8 P51685 1/20 0.37
▸ DYRK1A Q13627 2/20 0.36
▸ GRM4 Q14833 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ MAP2K4 P45985 1/20 0.35
▸ WNT1 P04628 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ITK Q08881 2/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33

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
SCHEMBL9882401 0.78 RPS6KA5 (0.35) CCR1CCR8DYRK1AGRM4CDK2
SCHEMBL14725583 0.77 ITK (0.33) DYRK1AGRM4CYP1A2ITKCLK2
SCHEMBL5535052 0.77 HPGDS (0.43) CCR1CCR8DYRK1AGRM4CYP1A2
SCHEMBL253764 0.73 NPC1 (0.43) CCR1CCR8GRM4CYP1A2GPR84
SCHEMBL29623097 0.73 NPC1 (0.43) CCR1CCR8GRM4CYP1A2GPR84
SCHEMBL29989469 0.73 MAPK1 (0.48) LRRK2
SCHEMBL17922026 0.72 LRRK2 (0.41) GPR84PIM1LRRK2
SCHEMBL13536964 0.71 MAPK1 (0.34) DYRK1AGRM4CCNT1CDK2CDK9
SCHEMBL9881930 0.71 PRKCQ (0.54) CYP1A2PIM1
SCHEMBL10452107 0.71 LRRK2 (0.62) GRM4CYP1A2MAP2K4ITKLRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 — — US disclosed
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-28 — — US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE 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 (2 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-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CCR1 3792/4885CCR8 4518/4885DYRK1A 510/4885
US-20130053395-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 CCR1 3792/4885CCR8 4518/4885DYRK1A 510/4885

“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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