SCHEMBL6163027

SCHEMBL6163027

Nc1c(C(=O)c2cccc(OCCN3CCOCC3)c2)cnn1-c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.77
GAK O14976 1/20 0.47
LCK P06239 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDGFRB P09619 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
EPHA5 P54756 1/20 0.47
MAPK11 Q15759 1/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
BTK Q06187 2/20 0.46
ABCB1 P08183 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
Hydrochloric Acid SCHEMBL7975228 0.91 MAPK14 (0.75) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL1385996 0.87 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Hydrochloric Acid SCHEMBL6165280 0.86 MAPK14 (0.98) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL6157820 0.84 MAPK14 (0.74) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL1417123 0.84 MAPK14 (0.68) MAPK14FGFR1FGFR2FGFR3KDM4E
SCHEMBL1417039 0.80 MAPK14 (0.63) MAPK14LCKCYP2C9MAPK9MAPK10
SCHEMBL7571325 0.78 MAPK14 (1.00) MAPK14GAKLCKCYP3A4PDGFRB
Hydrochloric Acid SCHEMBL6157531 0.78 MAPK14 (0.98) MAPK14GAKLCKCYP3A4PDGFRB
SCHEMBL1384090 0.76 MAPK14 (0.80) MAPK14
SCHEMBL7478499 0.75 MAPK14 (0.54) MAPK14LCKPDGFRBKDM4ETP53

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-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 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 (3 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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 MAPK14 32/4885GAK 164/4885LCK 422/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 MAPK14 34/4885GAK 169/4885LCK 358/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 MAPK14 32/4885GAK 164/4885LCK 422/4885

“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.