SCHEMBL612267

SCHEMBL612267

NC(=O)c1sc(-c2ccncc2)cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 1.00
DBF4 Q9UBU7 4/20 1.00
IKBKB O14920 7/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
BTK Q06187 1/20 0.71
CHUK O15111 1/20 0.67
CYP2C19 P33261 1/20 0.67
MAPT P10636 8/20 0.65
ALDH1A1 P00352 6/20 0.65
HDAC6 Q9UBN7 1/20 0.65
KDM4E B2RXH2 6/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 4/20 0.47

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
SCHEMBL611877 0.87 CDC7 (0.77) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL1847243 0.83 IKBKB (1.00) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL6612593 0.83 IKBKB (0.76) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL6611007 0.83 CDC7 (0.70) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL613186 0.81 MAPT (0.70) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL6608113 0.81 IKBKB (0.73) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL4097325 0.80 IKBKB (1.00) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL6611685 0.80 IKBKB (0.72) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL4091841 0.80 IKBKB (1.00) CDC7DBF4IKBKBCYP1A2CYP3A4
SCHEMBL4082097 0.79 IKBKB (1.00) CDC7DBF4IKBKBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444010-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP claimed
WO-2003037886-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-08 WO claimed
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
EP-1444010-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
WO-2003037886-A2 HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-05-08 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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK CDC7 1/4885DBF4 593/4885IKBKB 993/4885

“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.