SCHEMBL627636

SCHEMBL627636

Cc1cnc(NC(=O)C2CC2)cc1-c1nc(-c2nnc[nH]2)c(-c2ccccc2Cl)o1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 19/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL626895 0.91 PIK3C3 (0.39) ABL1SMN1; SMN2
SCHEMBL9890038 0.89 AGPAT2 (0.38) ABL1NPC1SMN1; SMN2
SCHEMBL9890572 0.86 GSK3B (0.49) ABL1
SCHEMBL627198 0.85 PIK3C3 (0.39) ABL1SMN1; SMN2
SCHEMBL626970 0.80 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL626224 0.77 JAK2 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL9888667 0.77 ABL1 (0.42) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL9890626 0.76 PIK3C3 (0.35) ABL1
SCHEMBL9104256 0.75 PIK3C3 (0.40) ABL1RAB9ASMN1; SMN2
SCHEMBL9104647 0.74 CDC7 (0.42) NPC1RAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
US-8859768-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-10-14 US disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (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-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 ABL1 652/4885NPC1 91/4885RAB9A 109/4885

“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.