SCHEMBL1192525

SCHEMBL1192525

Fc1cccc(CNc2cncc(Cl)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.53
CCNT1 O60563 15/20 0.52
STIM1 Q13586 1/20 0.46
ORAI1 Q96D31 1/20 0.46
KDM5A P29375 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
CDK9 P50750 2/20 0.46

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
SCHEMBL6283187 0.85 MAP4K4 (0.48)
SCHEMBL29933870 0.83 FYN (0.59) CCNT1
SCHEMBL28884642 0.83 FYN (0.59) CCNT1
SCHEMBL16040658 0.83 BRAF (0.53) BRAFCCNT1KDM5AKDM4CKDM5B
SCHEMBL22792188 0.82 BRAF (0.53) BRAFCCNT1KDM5AKDM4CKDM5B
SCHEMBL3140863 0.82 KDM4E (0.58)
SCHEMBL3143358 0.82 CDK2 (0.57) BRAF
SCHEMBL6281968 0.80 CYP1A2 (0.48)
SCHEMBL1678795 0.78 LTA4H (0.53) KDM4C
SCHEMBL5207658 0.78 CLK4 (0.51) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 US disclosed
EP-2668162-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES Novartis AG (CH) 2013-12-04 EP disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
CN-103339110-A Substituted hetero-biaryl compounds as CDK9 inhibitors and uses thereof NOVARTIS AG 2013-10-02 CN disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8415381-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2013-04-09 US disclosed
WO-2012101066-A1 PYRIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101065-A2 PYRIMIDINE BIARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
WO-2012101062-A1 SUBSTITUTED BI-HETEROARYL COMPOUNDS AS CDK9 INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2012-08-02 WO disclosed
EP-2459535-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS Novartis AG (CH) 2012-06-06 EP disclosed
CN-102482218-A Pyridine And Pyrazine Derivatives As Protein Kinase Modulators NOVARTIS AG 2012-05-30 CN disclosed
US-20110028492-A1 Heteroaryl Compounds and Their Uses NOVARTIS AG (CH) 2011-02-03 US disclosed
WO-2011012661-A1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2011-02-03 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 (4 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 BRAF 714/4885CCNT1 76/4885STIM1 4497/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 BRAF 714/4885CCNT1 76/4885STIM1 4497/4885
US-20110028492-A1 Heteroaryl Compounds and Their Uses CDK9, CDK19, CDK3 BRAF 714/4885CCNT1 76/4885STIM1 4497/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 BRAF 163/4885CCNT1 50/4885STIM1 4706/4885

“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.