SCHEMBL14873801

SCHEMBL14873801

CCc1c(-n2cnnn2)ccc(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 5/20 0.50
▸ F2 P00734 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ F11 P03951 3/20 0.35
▸ TSHR P16473 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
SCHEMBL23088294 0.87 NOTUM (0.51) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL29792599 0.87 NOTUM (0.51) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL23088219 0.87 NOTUM (0.51) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL23088005 0.85 NOTUM (0.50) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL14873776 0.80 NOTUM (0.54) NOTUMF2ALDH1A1KMT2AKDM4E
SCHEMBL17232505 0.80 ALDH1A1 (0.52) F2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL30665150 0.80 ALDH1A1 (0.52) F2ALDH1A1KMT2AKDM4ELMNA
SCHEMBL19412829 0.79 NOTUM (0.54) NOTUM
SCHEMBL21132267 0.78 NOTUM (0.46) NOTUMF2ALDH1A1KMT2ANPSR1
SCHEMBL23088270 0.77 ALDH1A1 (0.40) NOTUMF2ALDH1A1KMT2AKDM4E

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
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-09 — — US disclosed
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties BRISTOL-MYERS SQUIBB (US) 2019-05-14 — — US disclosed
US-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES BRISTOL MYERS SQUIBB CO (US) 2018-08-02 — — US disclosed
US-9777001-B2 Macrocycles with aromatic P2′ groups as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 — — US disclosed
WO-2013056060-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 — — 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 (3 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-20180215755-A1 FACTOR XIA MACROCYCLIC INHIBITORS BEARING ALKYL OR CYCLOALKYL P2' MOIETIES TFPI, TFPI2, F11 NOTUM 3040/4885F2 5/4885ALDH1A1 4544/4885
US-10676477-B2 Factor XIa macrocycle inhibitors bearing a non-aromatic P2' group TFPI, TFPI2, F2 NOTUM 2986/4885F2 3/4885ALDH1A1 4659/4885
US-10287288-B2 Factor XIa macrocyclic inhibitors bearing alkyl or cycloalkyl P2' moieties TFPI, TFPI2, F11 NOTUM 3040/4885F2 5/4885ALDH1A1 4544/4885

“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.

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