SCHEMBL9883352

SCHEMBL9883352

CNCCN(c1cccc(-c2n[nH]c3ncccc23)n1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.35
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ RET P07949 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL10459213 0.86 NOS1 (0.41) PIM1PIM3PIM2RETLRRK2
SCHEMBL9883364 0.71 LRRK2 (0.43) PIM1PIM3PIM2LRRK2
SCHEMBL10459260 0.70 PIM1 (0.41) PIM1PIM3PIM2LRRK2SYK
SCHEMBL10459276 0.70 PIM1 (0.43) PIM1PIM3PIM2LRRK2SYK
SCHEMBL1833053 0.70 LRRK2 (0.44) PIM1PIM3PIM2LRRK2
SCHEMBL10459247 0.68 PIM1 (0.43) PIM1PIM3PIM2LRRK2SYK
SCHEMBL10459404 0.67 PIM1 (0.50) PIM1PIM3PIM2LRRK2
SCHEMBL1639739 0.66 LRRK2 (0.67) PIM1PIM3PIM2LRRK2NTRK1
SCHEMBL10459165 0.65 PIM1 (0.61) PIM1PIM3PIM2SYK
SCHEMBL10457547 0.65 CYP2D6 (0.53) PIM1PIM3PIM2

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 305/4885PIM3 363/4885PIM2 285/4885

“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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