SCHEMBL613613

SCHEMBL613613

COC(=O)c1scc(C)c1NC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
PKM P14618 1/20 0.58
ATM Q13315 1/20 0.58
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
POLB P06746 2/20 0.54
CYP2C19 P33261 1/20 0.54
HTR1A P08908 1/20 0.53
SCN1A P35498 1/20 0.53
SCN2A Q99250 1/20 0.53
SCN3A Q9NY46 1/20 0.53
KDM4E B2RXH2 5/20 0.49
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL3715260 0.84 ALDH1A1 (0.52) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL15026136 0.81 NPSR1 (0.44) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL23012362 0.81 MAPT (0.64) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL3615750 0.80 MAPT (0.62) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL9097295 0.78 MAPT (0.57) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL23022527 0.77 MAPT (0.59) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL23332784 0.77 CYP1A2 (0.69) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL22692963 0.77 CYP1A2 (0.67) MAPTPKMATMCYP1A2CYP3A4
SCHEMBL5234643 0.76 PDK1 (0.42) MAPTPKMATMCYP1A2POLB
SCHEMBL22664823 0.76 CYP1A2 (0.65) MAPTPKMATMCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 WO disclosed
US-20080004325-A1 PTP1B inhibitors WYETH (US) 2008-01-03 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 (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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK MAPT 2979/4885PKM 1516/4885ATM 434/4885
US-20080004325-A1 PTP1B inhibitors PTPA, PTPRJ, PTPRR MAPT 3063/4885PKM 2564/4885ATM 1154/4885

“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.