SCHEMBL9882248

SCHEMBL9882248

CC(=O)NCC1CCCN(c2ccc(F)c(-c3n[nH]c4ncccc34)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ PRKCQ Q04759 10/20 0.41
▸ PRKCD Q05655 7/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PRKCA P17252 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL15273825 0.86 PRKCQ (0.41) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882269 0.86 PIM1 (0.46) PIM1PRKCQPRKCDPRKCAPRMT5
SCHEMBL9883376 0.86 PIM1 (0.46) PIM1PRKCQPRKCDPRKCAPRMT5
SCHEMBL9882250 0.85 PRKCQ (0.43) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882102 0.85 PRKCQ (0.53) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882273 0.85 PRKCQ (0.53) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882101 0.85 PRKCQ (0.53) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882249 0.85 PIM1 (0.53) PIM1ALDH1A1PRKCQPRKCDPRKCA
SCHEMBL9882247 0.82 PBK (0.46) PIM1PRKCQPRKCDPRKCAKDM4E
SCHEMBL9882240 0.81 PIM1 (0.49) PIM1PRKCQPRKCD

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
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
WO-2010011772-A2 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-28 — — WO 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 PIM1 305/4885ALDH1A1 3892/4885PRKCQ 51/4885
US-20120136000-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS MAP3K20, MAP3K5, PRKACA PIM1 305/4885ALDH1A1 3892/4885PRKCQ 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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