SCHEMBL15051487

SCHEMBL15051487

Cc1cnc(NC(=O)C2CC2)cc1-n1cc(-c2nc[nH]n2)c(-c2ccccc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 18/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL15051164 0.93 ABL1 (0.44) ABL1NPC1RAB9ASMN1; SMN2GSK3A
SCHEMBL15050840 0.91 ABL1 (0.36) ABL1SMN1; SMN2
SCHEMBL15051720 0.90 ABL1 (0.47) ABL1GSK3AGSK3B
SCHEMBL15072383 0.90 MAPK1 (0.36) ABL1NPC1SMN1; SMN2
SCHEMBL15051538 0.84 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15051647 0.83 GSK3B (0.46) ABL1GSK3AGSK3B
SCHEMBL15051722 0.83 ABL1 (0.47) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15051676 0.82 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15051877 0.82 ABL1 (0.36) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL15051264 0.81 ABL1 (0.47) ABL1NPC1RAB9ASMN1; SMN2

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
EP-2793880-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2014-10-29 EP disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
WO-2013096630-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 ABL1 801/4885NPC1 819/4885RAB9A 119/4885

“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.