Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1267334

N.O=C(O)c1sc2c(ccc(=O)n2-c2ccccc2)c1Nc1ccccc1

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
GAA P10253 3/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
THRB P10828 1/20 0.33
MAPT P10636 6/20 0.33
CXCR2 P25025 3/20 0.33
TP53 P04637 1/20 0.33
CSF1R P07333 1/20 0.32
G6PD P11413 1/20 0.32
TLR9 Q9NR96 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32

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 SCHEMBL2960210 0.92 NPC1 (0.39) GAAMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2957695 0.89 CXCR2 (0.40) CDK4CCND1CCND2CCND3GAA
Ammonia Solution, Strong SCHEMBL2956206 0.89 CSF1R (0.38) GAAMEN1KMT2ATHRBMAPT
Ammonia Solution, Strong SCHEMBL2960320 0.89 NPC1 (0.41) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL2958575 0.89 CDK4 (0.38) CDK4CCND1CCND2CCND3GAA
SCHEMBL2958436 0.89 KMT2A (0.41) CDK4CCND1CCND2CCND3GAA
SCHEMBL2949859 0.88 CDK4 (0.37) CDK4CCND1CCND2CCND3GAA
SCHEMBL2952675 0.88 KMT2A (0.41) CDK4CCND1CCND2CCND3KDM4E
SCHEMBL2950157 0.87 CXCR2 (0.40) CDK4CCND1CCND2CCND3GAA
SCHEMBL2952845 0.85 CXCR2 (0.42) CDK4CCND1CCND2CCND3GAA

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 9 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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System INTERMUNE, INC. (US) 2011-02-10 US disclosed
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-7521460-B2 Thienopyridone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2009-04-21 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-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor CELLTECH R&D LIMITED (GB) 2007-05-03 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 (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-20110034495-A1 Method of Modulating Stress-Activated Protein Kinase System MAPKAPK2, MAP3K6, MAP3K2 CDK4 1082/4885CCND1 4433/4885CCND2 4613/4885
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
US-20070099894-A1 e.g. 3-[(2,4-Difluorophenyl)amino]-2-{[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyl}-7-phenylthieno[2,3-b]pyridin-6(7H)-one; autoimmune, neurodegenerative disorders, antiinflammatory agent; p38 MAP kinase inhibitor MAPK1, MAPKAPK2, MAPK6 CDK4 749/4885CCND1 3104/4885CCND2 2871/4885

“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.