SCHEMBL430561

SCHEMBL430561

Nc1cc(F)c(C2CC2)c(-n2cnnn2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
NOTUM Q6P988 3/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
TP53 P04637 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
SCHEMBL431148 0.80 ALDH1A1 (0.43) ALDH1A1NOTUMKDM4EHPGDTSHR
SCHEMBL432821 0.78 LMNA (0.48) ALDH1A1KDM4EKMT2A
SCHEMBL432963 0.74 ALDH1A1 (0.37) ALDH1A1NOTUMKDM4EHPGDTSHR
SCHEMBL1740735 0.74 ALDH1A1 (0.55) ALDH1A1NOTUMKDM4EHPGDTSHR
SCHEMBL22637403 0.72 ALDH1A1 (0.56) ALDH1A1NOTUMKDM4ETSHRKMT2A
SCHEMBL241585 0.72 ABCB1 (0.35) ALDH1A1MAPK1
SCHEMBL1741532 0.70 NOTUM (0.50) ALDH1A1NOTUMKDM4EHPGDKMT2A
SCHEMBL15337408 0.69 KDM4E (0.39) ALDH1A1NOTUMKDM4EHPGDTSHR
SCHEMBL15790774 0.68 POLB (0.40) ALDH1A1NOTUMKDM4EHPGDTSHR
SCHEMBL23206106 0.68 OPRL1 (0.36) ALDH1A1TSHRKMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
EP-2595982-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-06-13 EP disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-9181222-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-11-10 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
US-8710223-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2014-04-29 US disclosed
EP-2595982-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2012-01-26 US disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 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 (2 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-20140329842-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885NOTUM 1505/4885KDM4E 2813/4885
US-20120022092-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB ALDH1A1 4361/4885NOTUM 1505/4885KDM4E 2813/4885

“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.