SCHEMBL9882295

SCHEMBL9882295

CC(C)CC1(CN)CCCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 13/20 0.41
▸ PRKCD Q05655 8/20 0.41
▸ PRKCA P17252 1/20 0.38
▸ PIM1 P11309 2/20 0.35
▸ PTPN11 Q06124 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRM4 Q14833 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL9882386 0.91 PRKCQ (0.42) PRKCQPRKCDPRKCAPTPN11KCNH2
SCHEMBL9882395 0.90 PRKCQ (0.43) PRKCQPRKCDPRKCAPTPN11KCNH2
SCHEMBL9882291 0.90 PRKCQ (0.40) PRKCQPRKCDPRKCAPIM1PTPN11
SCHEMBL9882229 0.88 PRKCQ (0.42) PRKCQPRKCDPRKCAPIM1GRM4
SCHEMBL9882220 0.86 PRKCQ (0.42) PRKCQPRKCDPRKCAPIM1GRM4
SCHEMBL9882241 0.86 PRKCQ (0.42) PRKCQPRKCDPRKCAPIM1GRM4
SCHEMBL9882219 0.86 PRKCQ (0.42) PRKCQPRKCDPRKCAPIM1GRM4
SCHEMBL9882256 0.82 PIM1 (0.50) PRKCQPRKCDPRKCAPIM1PTPN11
SCHEMBL9882335 0.80 PRKCQ (0.42) PRKCQPRKCDPRKCAMAPT
SCHEMBL9882146 0.80 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-9193722-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-24 — — US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 — — US disclosed
US-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-26 — — US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — US disclosed
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2012-05-31 — — 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-20130252939-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PRKCQ 51/4885PRKCD 144/4885PRKCA 34/4885

“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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