SCHEMBL3960972

SCHEMBL3960972

Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.54
JAK2 O60674 2/20 0.51
JAK1 P23458 1/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
AURKA O14965 1/20 0.48
MAPK8 P45983 3/20 0.46
MAPK10 P53779 3/20 0.46
MAPK14 Q16539 3/20 0.46
FGFR1 P11362 2/20 0.44
FGFR2 P21802 1/20 0.44
IDO1 P14902 1/20 0.44
PLA2G7 Q13093 1/20 0.44
PAK1 Q13153 2/20 0.42
MAP2K4 P45985 1/20 0.42
ESR1 P03372 1/20 0.42
PDPK1 O15530 1/20 0.41
CDK4 P11802 2/20 0.41
CDK2 P24941 2/20 0.41
KDR P35968 2/20 0.41

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
SCHEMBL30364178 0.80 IDO1 (0.60) JAK2JAK1TYK2JAK3AURKA
SCHEMBL21536862 0.79 CHEK1 (0.58) JAK2JAK1TYK2JAK3MAPK8
SCHEMBL5552470 0.79 AXL (0.69) AXLJAK2AURKAMAPK8MAPK10
SCHEMBL20166468 0.77 MAP2K4 (0.58) MAPK8MAPK10MAPK14PAK1MAP2K4
SCHEMBL3966282 0.76 NPBWR1 (0.55) MAPK8MAPK10MAPK14PAK1CDK4
SCHEMBL1663819 0.75 FGFR1 (0.71) AXLJAK2AURKAMAPK10MAPK14
SCHEMBL6478211 0.74 JAK2 (0.78) JAK2JAK1TYK2JAK3AURKA
SCHEMBL20167111 0.73 MAP2K4 (0.61) MAPK8MAPK10MAPK14PAK1MAP2K4
SCHEMBL21536779 0.73 PAK1 (0.61) JAK2JAK1MAPK8MAPK10MAPK14
SCHEMBL2926172 0.73 AXL (0.49) AXLJAK2AURKAFGFR1FGFR2

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-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 US disclosed
EP-1919877-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F.HOFFMANN-LA ROCHE AG (CH) 2008-05-14 EP disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 US disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
WO-2007023114-A1 P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO 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 (1 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 AXL 3117/4885JAK2 152/4885JAK1 398/4885

“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.