SCHEMBL13870549

SCHEMBL13870549

C=CCn1cnc(CCNC(=O)NC)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.36
PIK3CA P42336 3/20 0.35
MTNR1A P48039 2/20 0.35
CPB2 Q96IY4 5/20 0.34
PRKDC P78527 2/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
TRHR P34981 1/20 0.33
MTNR1B P49286 1/20 0.32
CPB1 P15086 1/20 0.32
NTRK1 P04629 1/20 0.31
NAMPT P43490 1/20 0.31
JAK2 O60674 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13853447 0.83 CPB2 (0.46) PIK3CGPIK3CAMTNR1ACPB2PRKDC
SCHEMBL13853448 0.81 CPB2 (0.51) PIK3CGPIK3CAMTNR1ACPB2PRKDC
SCHEMBL13870511 0.80 CPB2 (0.50) PIK3CGPIK3CAMTNR1ACPB2PRKDC
SCHEMBL13870508 0.79 PIK3CG (0.36) PIK3CGPIK3CAMTNR1ACPB2PRKDC
SCHEMBL3202060 0.70 CYP2C9 (0.50) CPB2CYP2C9TRHRCPB1
Hydrochloric Acid SCHEMBL4079400 0.69 TDP1 (0.51) CPB2CYP2C9TRHRCPB1
Hydrochloric Acid SCHEMBL4079392 0.69 TDP1 (0.51) CPB2CYP2C9TRHRCPB1
SCHEMBL12662747 0.69 CPB2 (0.48) PIK3CGPIK3CAMTNR1ACPB2CPB1
SCHEMBL2051187 0.68 TRHR (0.31) TRHR
SCHEMBL4079394 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 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 (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-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB PIK3CG 4794/4885PIK3CA 4258/4885MTNR1A 821/4885

“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.