SCHEMBL9883376

SCHEMBL9883376

NC[C@@H]1CCCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.46
▸ PTPN11 Q06124 1/20 0.44
▸ PRKCQ Q04759 8/20 0.43
▸ PRKCD Q05655 5/20 0.43
▸ PRKCA P17252 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPA Q5VT25 1/20 0.40
▸ CDC42BPB Q9Y5S2 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ PRMT5 O14744 1/20 0.39

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
SCHEMBL9882269 1.00 PIM1 (0.46) PIM1PTPN11PRKCQPRKCDPRKCA
SCHEMBL9882234 0.94 PIM1 (0.49) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882300 0.94 PIM1 (0.49) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882289 0.94 PIM1 (0.49) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882249 0.94 PIM1 (0.53) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882316 0.90 PRKCQ (0.44) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882101 0.88 PRKCQ (0.53) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882102 0.88 PRKCQ (0.53) PIM1PRKCQPRKCDPRKCAMAPT
SCHEMBL9882075 0.88 PTPN11 (0.46) PIM1PTPN11PRKCQPRKCDPRKCA
SCHEMBL9882250 0.88 PRKCQ (0.43) PIM1PRKCQPRKCDPRKCAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885PTPN11 775/4885PRKCQ 51/4885

“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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