SCHEMBL2956087

SCHEMBL2956087

CN(C)c1ccc(-n2c(=O)ccc3c(Nc4ccccc4)c(C(=O)NCCCn4ccnc4)sc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
QPCT Q16769 1/20 0.46
NAMPT P43490 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2949078 0.92 NAMPT (0.48) KMT2AQPCTNAMPTSMN1; SMN2PKM
SCHEMBL2956215 0.81 PARP1 (0.42) KMT2AALDH1A1KDM4EHPGDLMNA
SCHEMBL5652559 0.80 SMN1; SMN2 (0.52) KMT2ANAMPTSMN1; SMN2PKMALDH1A1
Ammonia Solution, Strong SCHEMBL2956206 0.78 CSF1R (0.38) KMT2AGAALMNAPOLBTP53
SCHEMBL2953704 0.76 MAPT (0.46) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2952230 0.75 KDM1A (0.37) KMT2AGAALMNAPOLBTP53
SCHEMBL2952787 0.75 LMNA (0.47) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2957153 0.74 MEN1 (0.46) KMT2ASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL2958448 0.74 ALDH1A1 (0.50) KMT2ASMN1; SMN2PKMALDH1A1KDM4E
SCHEMBL2950110 0.74 TERT (0.37) NAMPTALDH1A1KDM4EHPGDHTT

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 KMT2A 1316/4885QPCT 2385/4885NAMPT 3234/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 KMT2A 1383/4885QPCT 2217/4885NAMPT 3931/4885

“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.