SCHEMBL13198228

SCHEMBL13198228

Cn1nc(-c2ccc3ccccc3c2)c2cc(N)cc(F)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.48
PIK3CD O00329 7/20 0.48
PRKDC P78527 7/20 0.48
PIK3CA P42336 6/20 0.48
PIK3CB P42338 6/20 0.48
PIK3CG P48736 6/20 0.48
ABL1 P00519 5/20 0.48
EGFR P00533 2/20 0.48
HCK P08631 2/20 0.48
KDR P35968 2/20 0.48
MTOR P42345 2/20 0.48
EPHB4 P54760 2/20 0.48
RIPK2 O43353 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
TDP2 O95551 1/20 0.37
CYP1A2 P05177 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13198213 0.82 ADORA2A (0.41) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL2855683 0.80 SRC (0.40) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL13198226 0.78 SRC (0.49) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL2864472 0.72 IKBKB (0.43) PIK3CDPRKDCPIK3CAPIK3CBPIK3CG
SCHEMBL13198230 0.70 PIK3CD (0.55) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL14074984 0.67 SRC (0.51) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL15081368 0.66 KIT (0.30) PIK3CA
SCHEMBL14075020 0.66 PIK3CD (0.44) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL14075017 0.66 KDM4E (0.47) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29941530 0.66 PIK3CD (0.60) SRCPIK3CDPRKDCPIK3CAPIK3CB

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 3 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

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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 SRC 261/4885PIK3CD 2115/4885PRKDC 992/4885

“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.