SCHEMBL778625

SCHEMBL778625

CC(C)C(N)[C@H]1CCN(c2nc(-c3n[nH]c4ncccc34)c(C#N)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 7/20 0.46
▸ PRKCD Q05655 5/20 0.46
▸ PRKCA P17252 4/20 0.40
▸ PIM1 P11309 6/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ GPR6 P46095 2/20 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
SCHEMBL800479 0.94 PRKCQ (0.51) PRKCQPRKCDPRKCAPIM1PRKCG
SCHEMBL799916 0.90 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1PRKCG
SCHEMBL800201 0.90 PRKCQ (0.47) PRKCQPRKCDPRKCAPIM1PRKCG
SCHEMBL799872 0.84 PRKCQ (0.49) PRKCQPRKCDPRKCAPIM1PRKCG
SCHEMBL12347381 0.82 PRKCQ (0.54) PRKCQPRKCDPRKCAPRKCGPRKCB
SCHEMBL14718095 0.82 PRKCQ (0.54) PRKCQPRKCDPRKCAPRKCGPRKCB
SCHEMBL799880 0.80 PRKCQ (0.71) PRKCQPRKCDPRKCAPRKCGPRKCB
SCHEMBL800300 0.80 PRKCQ (0.71) PRKCQPRKCDPRKCAPRKCGPRKCB
SCHEMBL780613 0.80 PRKCQ (0.39) PRKCQPRKCDPRKCAPRKCGPRKCB
SCHEMBL9882221 0.76 PRKCQ (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528917-B1 PYRAZOLOPYRIDINES USEFUL FOR THE TREATMENT OF AUTOIMMUNE, INFLAMMATORY OR (HYPER)PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2016-10-19 — — EP disclosed
EP-2528917-B1 PYRAZOLOPYRIDINES USEFUL FOR THE TREATMENT OF AUTOIMMUNE, INFLAMMATORY OR (HYPER)PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2016-10-19 — — EP disclosed
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 — — US disclosed
US-9067932-B2 Pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-30 — — US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — 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 (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-20120071494-A1 PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP3K1 PRKCQ 41/4885PRKCD 111/4885PRKCA 29/4885

“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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