SCHEMBL168402

SCHEMBL168402

NC(=O)c1ccn(-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SCN9A Q15858 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
UBE2N P61088 4/20 0.42
MAPT P10636 1/20 0.42
NOTUM Q6P988 1/20 0.41
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL5962907 0.91 SCN4A (0.49) KMT2AL3MBTL1KDM4ESCN9A
SCHEMBL15090773 0.85 SCN9A (0.46) KMT2AL3MBTL1KDM4ESCN9AALDH1A1
SCHEMBL14150735 0.84 KMT2A (0.64) KMT2AL3MBTL1KDM4EUBE2NMAPT
SCHEMBL30078274 0.83 ALDH1A1 (0.50) KMT2AL3MBTL1KDM4ESCN9ACA12
SCHEMBL19778587 0.83 KMT2A (0.54) KMT2AL3MBTL1KDM4EUBE2NMAPT
SCHEMBL725497 0.82 CYP2C9 (0.53) KMT2AL3MBTL1KDM4ESCN9AMAPT
SCHEMBL14247709 0.81 SCN9A (0.42) L3MBTL1KDM4ESCN9AMAPTALDH1A1
SCHEMBL6531865 0.80 SCN9A (0.51) KMT2AL3MBTL1KDM4ESCN9ACA12
SCHEMBL28088814 0.79 ALDH1A1 (0.51) KMT2AL3MBTL1SCN9ACA12CA1
SCHEMBL28291686 0.79 KMT2A (0.50) KMT2AL3MBTL1KDM4EUBE2NMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP claimed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP claimed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US claimed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO claimed
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed
EP-4028395-A1 SULFONAMIDE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER Trobio Therapeutics Pty Ltd (AU) 2022-07-20 EP disclosed
EP-2526098-B1 NITROGEN-CONTAINING HETEROARYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-07-11 EP disclosed
EP-2609091-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS Lead Discovery Center GmbH (DE) 2013-07-03 EP disclosed
US-8470820-B2 Nitrogen-containing heteroaryl derivatives HOFFMAN-LA ROCHE INC. (US) 2013-06-25 US disclosed
WO-2012028332-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AS AXL INHIBITORS LEAD DISCOVERY CENTER GMBH (DE) 2012-03-08 WO disclosed
US-20090143455-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-06-04 US disclosed
CN-1050382-A Pyrazole derivatives and preparation method thereof and medicinal compositions FUJISAWA PHARMACEUTICAL CO (JP) 1991-04-03 CN 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-20090143455-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX12, ALOX15B KMT2A 4432/4885L3MBTL1 2718/4885KDM4E 3936/4885

“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.