SCHEMBL21132267

SCHEMBL21132267

CCC(C)c1c(-n2cnnn2)ccc(Cl)c1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ F11 P03951 7/20 0.35
▸ KLK1 P06870 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KLKB1 P03952 1/20 0.35

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
SCHEMBL16132838 0.86 NOTUM (0.50) NOTUMALDH1A1F2NPSR1F11
SCHEMBL20354113 0.79 CYP2C9 (0.36) ALDH1A1KMT2A
SCHEMBL14873801 0.78 NOTUM (0.50) NOTUMALDH1A1F2NPSR1F11
SCHEMBL14873776 0.76 NOTUM (0.54) NOTUMALDH1A1F2HTTNPSR1
SCHEMBL23088219 0.73 NOTUM (0.51) NOTUMALDH1A1F2NPSR1F11
SCHEMBL23088294 0.73 NOTUM (0.51) NOTUMALDH1A1F2NPSR1F11
SCHEMBL29792599 0.73 NOTUM (0.51) NOTUMALDH1A1F2NPSR1F11
SCHEMBL24427290 0.73 NOTUM (0.54) NOTUMALDH1A1F2NPSR1F11
SCHEMBL23486492 0.73 NOTUM (0.54) NOTUMALDH1A1F2NPSR1F11
SCHEMBL10257379 0.73 NOTUM (0.45) NOTUMF11KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 — — 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-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 NOTUM 3214/4885ALDH1A1 2800/4885F2 3/4885

“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.

Send feedback