SCHEMBL13853447

SCHEMBL13853447

CCn1cnc(CCNC(=O)NC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.46
PIK3CG P48736 5/20 0.45
PIK3CA P42336 3/20 0.45
SMYD3 Q9H7B4 1/20 0.39
MTNR1A P48039 3/20 0.38
MAP3K5 Q99683 1/20 0.36
CPB1 P15086 1/20 0.36
PRKDC P78527 2/20 0.36
CYP2C9 P11712 1/20 0.36
KCNH2 Q12809 1/20 0.36
NAMPT P43490 2/20 0.35
NTRK1 P04629 1/20 0.35
MTNR1B P49286 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL13853448 0.89 CPB2 (0.51) CPB2PIK3CGPIK3CAMTNR1ACPB1
SCHEMBL12662747 0.85 CPB2 (0.48) CPB2PIK3CGPIK3CASMYD3MTNR1A
SCHEMBL13870511 0.85 CPB2 (0.50) CPB2PIK3CGPIK3CAMTNR1ACPB1
SCHEMBL13870549 0.83 PIK3CG (0.36) CPB2PIK3CGPIK3CAMTNR1ACPB1
SCHEMBL13870508 0.83 PIK3CG (0.36) CPB2PIK3CGPIK3CAMTNR1ACPB1
SCHEMBL1908661 0.79 CPB2 (0.43) CPB2PIK3CGPIK3CASMYD3MAP3K5
SCHEMBL27764721 0.77 CPB2 (0.46) CPB2PIK3CGPIK3CASMYD3MAP3K5
SCHEMBL12662749 0.73 CPB2 (0.50) CPB2PIK3CGPIK3CAMTNR1ACPB1
SCHEMBL7278477 0.73 CPB2 (0.48) CPB2SMYD3MAP3K5CPB1CYP2C9
SCHEMBL1303573 0.73 MAP3K5 (0.45) CPB2PIK3CGPIK3CAMAP3K5PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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 (4 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA CPB2 4432/4885PIK3CG 4654/4885PIK3CA 4044/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 CPB2 3114/4885PIK3CG 4777/4885PIK3CA 4619/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 CPB2 3114/4885PIK3CG 4777/4885PIK3CA 4619/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB CPB2 2939/4885PIK3CG 4794/4885PIK3CA 4258/4885

“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.