SCHEMBL522747

SCHEMBL522747

CC(Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 10/20 0.45
KRAS P01116 9/20 0.45
IDH1 O75874 3/20 0.44
PLK1 P53350 7/20 0.42
BRD4 O60885 1/20 0.40
BRDT Q58F21 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
SCHEMBL522746 1.00 SOS1 (0.45) SOS1KRASIDH1PLK1BRD4
SCHEMBL13551773 0.94 PLK1 (0.41) SOS1KRASIDH1PLK1BRD4
SCHEMBL523369 0.93 PLK1 (0.41) SOS1KRASIDH1PLK1BRD4
SCHEMBL523370 0.93 PLK1 (0.41) SOS1KRASIDH1PLK1BRD4
SCHEMBL523468 0.91 PLK1 (0.45) IDH1PLK1BRD4BRDT
SCHEMBL523421 0.91 PLK1 (0.45) IDH1PLK1BRD4BRDT
SCHEMBL13551774 0.89 PLK1 (0.44) IDH1PLK1BRD4BRDT
SCHEMBL522605 0.88 IDH1 (0.45) IDH1PLK1BRD4BRDT
SCHEMBL522384 0.88 IDH1 (0.45) IDH1PLK1BRD4BRDT
SCHEMBL522813 0.87 IDH1 (0.51) IDH1PLK1BRD4BRDT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322793-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US claimed
US-8278297-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US claimed
US-20120028966-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US claimed
EP-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP claimed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 WO claimed
EP-2356122-B1 PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2019-03-20 EP disclosed
US-8618106-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
US-20120322793-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8278297-B2 Protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-02 US disclosed
US-20120028966-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
EP-2356122-A1 PROTEIN KINASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2011-08-17 EP disclosed
WO-2010008454-A1 PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-21 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-20120322793-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SOS1 2059/4885KRAS 322/4885IDH1 1107/4885
US-20120028966-A1 PROTEIN KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 SOS1 2059/4885KRAS 322/4885IDH1 1107/4885

“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.