SCHEMBL18530477

SCHEMBL18530477

COC(=O)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.64
MAPT P10636 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
XBP1 P17861 1/20 0.48
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 3/20 0.48
ERN1 O75460 2/20 0.47
EGFR P00533 1/20 0.47
KIF11 P52732 1/20 0.46
LMNA P02545 2/20 0.45
EPHX1 P07099 1/20 0.43
SETD7 Q8WTS6 1/20 0.42

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
SCHEMBL321308 0.89 NOTUM (0.79) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL18530495 0.82 NOTUM (0.52) NOTUMMAPTCA12CA1CA2
SCHEMBL18530481 0.81 RXRA (0.56) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL29654055 0.78 NOTUM (1.00) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL15878227 0.78 NOTUM (0.67) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL15780793 0.78 CA1 (0.53) NOTUMCA12CA1CA2CA9
SCHEMBL15392523 0.78 NOTUM (1.00) NOTUMMAPTNPSR1MEN1KMT2A
SCHEMBL18530473 0.77 CA1 (0.51) NOTUMMAPTMEN1KMT2ACA12
SCHEMBL13063663 0.76 LMNA (0.56) NOTUMMAPTCA12CA1CA2
SCHEMBL1997248 0.76 NOTUM (0.73) NOTUMMAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators Karyopharm Therapeutics Inc. 2019-07-18 US disclosed
EP-3337796-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics, Inc. (US) 2018-06-27 EP disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 WO disclosed
WO-2017031213-A1 3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS Karyopharm Therapeutics Inc. (US) 2017-02-23 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-20190218207-A1 3-(Pyridin-3-yl)-Acrylamide and N-(Pyridin-3-yl)-Acrylamide Derivatives and Their Use as PAK or NAMPT Modulators NAMPT, PAK3, PAK5 NOTUM 2867/4885MAPT 241/4885NPSR1 3451/4885

“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.