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SCHEMBL2949022

SCHEMBL2949022

NC(=O)c1sc2c(ccc(=O)n2CC2CC2)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 2/20 0.40
▸ CCND2 P30279 2/20 0.40
▸ CCND3 P30281 2/20 0.40
▸ GSK3B P49841 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ CSF1R P07333 4/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CXCR2 P25025 1/20 0.33
▸ P2RX3 P56373 2/20 0.33

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
Ammonia Solution, Strong SCHEMBL2958678 0.90 CDK4 (0.41) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL2950397 0.88 BRD4 (0.38) NPC1CSF1RCNR2KDM4EALDH1A1
SCHEMBL2947096 0.88 MAPT (0.38) CNR2BRD4CREBBPMAPT
SCHEMBL1266627 0.85 MAPT (0.44) NPC1CNR2KDM4EALDH1A1HPGD
SCHEMBL2950366 0.85 DHODH (0.39) CSF1RALDH1A1MAPK1HTTP2RX3
SCHEMBL2955552 0.83 CDK4 (0.41) CDK4CCND1CCND2CCND3GSK3B
SCHEMBL2947325 0.83 ADORA2B (0.37) CDK4CCND1CCND2CCND3CNR2
SCHEMBL2956676 0.82 CSF1R (0.38) CSF1RCNR2ALDH1A1P2RX3MAPT
SCHEMBL2953780 0.82 AADAT (0.39) CSF1RALDH1A1MAPT
SCHEMBL2960817 0.81 KMT2A (0.43) CDK4CCND1CCND2CCND3GSK3B

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 6 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
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 — — US 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 CDK4 743/4885CCND1 655/4885CCND2 932/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 CDK4 689/4885CCND1 533/4885CCND2 932/4885

“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.