SCHEMBL2950416

SCHEMBL2950416

Cc1ccc(Nc2c(C#N)sc3c2ccc(=O)n3CC2CC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
USP2 O75604 1/20 0.35
BCL6 P41182 4/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE1C Q14123 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
P2RX3 P56373 3/20 0.31
DHODH Q02127 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL2958519 0.92 LMNA (0.34) BCL6LMNACYP1A2CYP3A4CYP2C19
SCHEMBL2958242 0.87 IDO1 (0.37) MAPTALDH1A1BCL6LMNAKMT2A
SCHEMBL2955781 0.85 CDK4 (0.40) MAPTALDH1A1BCL6MAPK1PDE1C
SCHEMBL2955848 0.84 SRC (0.37) LMNAMEN1KMT2APOLBMAPK1
SCHEMBL2950366 0.82 DHODH (0.39) MAPTALDH1A1USP2HTTLMNA
SCHEMBL2952695 0.74 LMNA (0.36) ALDH1A1HTTLMNACYP1A2POLB
SCHEMBL2956676 0.74 CSF1R (0.38) MAPTALDH1A1USP2LMNAP2RX3
SCHEMBL2952224 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2960348 0.71 LMNA (0.36) ALDH1A1LMNAMAPK1
SCHEMBL2949261 0.70 IDO1 (0.39) MAPTMEN1KMT2APOLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US claimed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US claimed
EP-2217596-A2 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 Schering Corporation (US) 2010-08-18 EP disclosed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
WO-2009055331-A2 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION (US) 2009-04-30 WO disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK MAPT 4305/4885ALDH1A1 1045/4885USP2 3559/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 MAPT 4495/4885ALDH1A1 717/4885USP2 3498/4885

“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.