SCHEMBL2863193

SCHEMBL2863193

Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
BTK Q06187 1/20 0.43
IKBKB O14920 1/20 0.42
KDR P35968 3/20 0.41
CDK4 P11802 1/20 0.41
CCNA2 P20248 1/20 0.41
CCND1 P24385 1/20 0.41
CDK2 P24941 1/20 0.41
CCND3 P30281 1/20 0.41
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRKDC P78527 2/20 0.40
MAPK8 P45983 2/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 1/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL2871126 0.82 KDR (0.50) MAPKAPK2BTKIKBKBKDRCDK4
SCHEMBL2861737 0.81 MAP2K4 (0.43) KDRMAPK8MAPK9ADORA2AAURKA
SCHEMBL2857443 0.80 CA12 (0.46) MAPKAPK2BTKKDRCDK4CCNA2
SCHEMBL6545000 0.78 TTK (0.40) MAPKAPK2BTKKDRCDK4CCNA2
SCHEMBL2864682 0.77 MAPKAPK2 (0.50) MAPKAPK2BTKIKBKBKDRCDK4
SCHEMBL2867525 0.76 ALPL (0.50) MAPKAPK2KDRCDK4CCNA2CCND1
SCHEMBL2870195 0.76 MAP2K4 (0.43) MAPKAPK2IKBKBKDRCDK4CCNA2
SCHEMBL2864567 0.75 MAPKAPK2 (0.48) MAPKAPK2IKBKBPIK3CDPIK3CAPIK3CB
SCHEMBL2865030 0.75 MAPT (0.41) KDRADORA2AKDM4EALDH1A1MAPT
Cyclopropanecarboxylic Acid Amide SCHEMBL2861585 0.74 NPC1 (0.40) MAPKAPK2BTKKDRCDK4CCNA2

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-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 MAPKAPK2 18/4885BTK 1826/4885IKBKB 584/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 MAPKAPK2 26/4885BTK 2213/4885IKBKB 451/4885

“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.