SCHEMBL19248552

SCHEMBL19248552

Cc1cc(-c2ccc(F)cn2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
AURKA O14965 2/20 0.43
NTRK1 P04629 2/20 0.43
CSF1R P07333 2/20 0.43
RET P07949 2/20 0.43
MET P08581 2/20 0.43
PIM1 P11309 2/20 0.43
FLT3 P36888 2/20 0.43
MAPK8 P45983 2/20 0.43
CDK8 P49336 2/20 0.43
MAP2K1 Q02750 2/20 0.43
MAP4K2 Q12851 2/20 0.43
ROCK1 Q13464 2/20 0.43
NTRK3 Q16288 2/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 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
SCHEMBL30936174 0.83 CYP11B1 (0.49) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL27018665 0.81 GRIA2 (0.42) NPC1AURKANTRK1CSF1RRET
SCHEMBL19248551 0.80 KIF11 (0.46) NPC1RAB9AAURKANTRK1CSF1R
SCHEMBL25247206 0.79 HSD17B10 (0.61) NPC1RAB9AMAP4K4TP53PKM
SCHEMBL22198919 0.79 DAPK3 (0.47) NPC1RAB9AAURKANTRK1CSF1R
SCHEMBL29890135 0.78 HSD17B1 (0.45) NPC1PIM1GSK3BGRIA2RXFP1
SCHEMBL16045003 0.78 IDH1 (0.41) NPC1RAB9AAURKANTRK1CSF1R
SCHEMBL3500816 0.78 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GRIA2CASP3
SCHEMBL23249856 0.78 HSD17B1 (0.45) NPC1PIM1GSK3BGRIA2RXFP1
SCHEMBL15040982 0.77 AURKA (0.58) NPC1RAB9AAURKANTRK1CSF1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9859511-B2 Organoiridium complex for organic electroluminescent elements TANAKA KIKINZOKU KOGYO K.K. (JP) 2018-01-02 US disclosed
US-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS TANAKA KIKINZOKU KOGYO K.K. (JP) 2017-08-17 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-20170237021-A1 ORGANIC IRIDIUM COMPLEX FOR ORGANIC ELECTROLUMINESCENT ELEMENTS L1CAM, ETFA, TTI2 NPC1 2548/4885RAB9A 4465/4885AURKA 1196/4885

“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.