SCHEMBL16178583

SCHEMBL16178583

C[C@@H]1C(=O)N(c2cccc(C#N)c2)c2cnc(Nc3cc(F)c4[nH]ncc4c3)nc2N1C1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VRK1 Q99986 15/20 0.36
BRD4 O60885 3/20 0.33
TAF1 P21675 1/20 0.33
LRRK2 Q5S007 1/20 0.33
RPS6KA3 P51812 2/20 0.33
VRK2 Q86Y07 2/20 0.33
RPS6KA6 Q9UK32 2/20 0.33
PARP1 P09874 1/20 0.33
JAK2 O60674 1/20 0.33
CSNK1A1 P48729 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL17780301 0.95 VRK1 (0.36) VRK1BRD4TAF1LRRK2PARP1
SCHEMBL17780382 0.95 VRK1 (0.36) VRK1BRD4TAF1LRRK2PARP1
SCHEMBL17780448 0.93 VRK1 (0.37) VRK1BRD4LRRK2RPS6KA3VRK2
SCHEMBL17780596 0.93 BRD4 (0.39) VRK1BRD4TAF1PARP1
SCHEMBL17780556 0.93 VRK1 (0.37) VRK1BRD4TAF1LRRK2RPS6KA6
SCHEMBL17780559 0.93 VRK1 (0.37) VRK1BRD4TAF1LRRK2RPS6KA6
SCHEMBL17780337 0.93 BRD4 (0.39) VRK1BRD4TAF1PARP1
SCHEMBL17780591 0.93 VRK1 (0.37) VRK1BRD4TAF1LRRK2RPS6KA6
SCHEMBL17780536 0.91 VRK1 (0.36) VRK1BRD4TAF1LRRK2RPS6KA6
SCHEMBL17780445 0.91 VRK1 (0.35) VRK1BRD4TAF1RPS6KA3VRK2

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-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US claimed
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-9351974-B2 Substituted pteridinones for the treatment of cancer OSI Pharmaceuticals, LLC (US) 2016-05-31 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 US disclosed
US-20140315911-A1 DIHYDROPTERIDINONES OSI Pharmaceuticals, LLC 2014-10-23 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-20140315911-A1 DIHYDROPTERIDINONES DHPS, DHODH, HYPK VRK1 489/4885BRD4 3536/4885TAF1 4545/4885

“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.