SCHEMBL2957997

SCHEMBL2957997

Cc1ccc(C#N)c(Nc2c(C(N)=O)sc3c2ccc(=O)n3-c2ccccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
CXCR2 P25025 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CISD2 Q8N5K1 1/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NLRP3 Q96P20 1/20 0.31
IKBKB O14920 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2954063 0.89 USP2 (0.37) ALDH1A1HPGDCXCR2KDM4EGAA
SCHEMBL2953715 0.89 MAPT (0.40) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL2952215 0.83 ALDH1A1 (0.35) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL2960764 0.81 LMNA (0.38) ALDH1A1HPGDCXCR2MAPTKDM4E
SCHEMBL2956387 0.81 MAPT (0.43) ALDH1A1MAPTKDM4EGAANPC1
SCHEMBL1265882 0.80 USP2 (0.37) ALDH1A1HPGDCXCR2KDM4EGAA
SCHEMBL4579752 0.80 LMNA (0.32) ALDH1A1GAATP53
SCHEMBL2952402 0.79 THRB (0.33) ALDH1A1CXCR2KDM4EGAARAB9A
SCHEMBL1266311 0.79 MAPT (0.43) ALDH1A1HPGDMAPTKDM4EGAA
SCHEMBL2950080 0.79 CSF1R (0.42) ALDH1A1SMN1; SMN2HSD17B10

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 GRM2 2532/4885ALDH1A1 1045/4885HPGD 3282/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 GRM2 3361/4885ALDH1A1 717/4885HPGD 3563/4885

“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.