SCHEMBL4715014

SCHEMBL4715014

O=c1cc(C(F)(F)F)c2c(C3=CC=C3)[nH]nc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.58
PIM1 P11309 1/20 0.58
GPX4 P36969 1/20 0.58
GSK3B P49841 1/20 0.58
PIM3 Q86V86 1/20 0.58
BRSK1 Q8TDC3 1/20 0.58
MAP4K5 Q9Y4K4 1/20 0.58
MAPK14 Q16539 1/20 0.43
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
JAK1 P23458 4/20 0.38
AR P10275 5/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34

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 SCHEMBL4715433 0.77 KDM4E (0.59) MAP4K4PIM1GPX4GSK3BPIM3
Hydrochloric Acid SCHEMBL4714406 0.74 KDM4E (0.38) MAP4K4PIM1GPX4GSK3BPIM3
Hydrochloric Acid SCHEMBL4714306 0.73 JAK1 (0.59) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL4715012 0.69 JAK2 (0.60) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL4711494 0.65 ALDH1A1 (0.43) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL1802992 0.57 HPGD (0.73) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL20936728 0.57 AR (0.42) ALDH1A1KDM4EARLMNAPKM
SCHEMBL31088779 0.57 NOTUM (0.40) MAP4K4PIM1GPX4GSK3BPIM3
SCHEMBL29437720 0.56 AR (0.55) ALDH1A1KDM4EARKMT2AADORA2A
SCHEMBL11590712 0.56 AR (0.55) ALDH1A1KDM4EARKMT2AADORA2A

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
EP-1641454-B1 PYRAZOLO[3,4-B]PYRIDIN-6-ONES AS GSK-3 INHIBITORS PFIZER PROD INC (US) 2008-10-01 EP disclosed
US-7300943-B2 GSK-3 inhibitors PFIZER INC. (US) 2007-11-27 US disclosed
US-20050026946-A1 GSK-3 inhibitors PFIZER INC 2005-02-03 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-20050026946-A1 GSK-3 inhibitors GSK3B, GSK3A, GSKIP MAP4K4 1004/4885PIM1 1530/4885GPX4 3476/4885

“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.