SCHEMBL3323291

SCHEMBL3323291

O=C(Nc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1F)NC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.48
FLT3 P36888 2/20 0.46
MAPK1 P28482 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
NRAS P01111 1/20 0.45
PTK6 Q13882 4/20 0.43
RPS6KB1 P23443 1/20 0.43
KMT2A Q03164 1/20 0.42
FGFR3 P22607 1/20 0.42
KDR P35968 1/20 0.42
EPHX2 P34913 3/20 0.41
ROCK1 Q13464 1/20 0.41
MYLK4 Q86YV6 1/20 0.41
JAK2 O60674 1/20 0.41
ROCK2 O75116 2/20 0.41
LCK P06239 1/20 0.40
PAK1 Q13153 1/20 0.40

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 SCHEMBL3848551 0.99 NPC1 (0.47) NPC1RAB9APOLBFLT3MAPK1
SCHEMBL16241777 0.84 ROCK1 (0.45) FLT3NRASPTK6RPS6KB1ROCK1
Hydrochloric Acid SCHEMBL3849761 0.83 ROCK1 (0.44) FLT3NRASPTK6RPS6KB1ROCK1
SCHEMBL3323424 0.80 NPC1 (0.43) NPC1RAB9APOLBKMT2AFGFR3
SCHEMBL3322932 0.80 KDM4E (0.46) NPC1RAB9APOLBFLT3NRAS
Hydrochloric Acid SCHEMBL3846069 0.79 KDM4E (0.46) NPC1RAB9APOLBFLT3NRAS
SCHEMBL4712318 0.78 KDM4E (0.41) POLBFLT3MAPK1NRASRPS6KB1
Hydrochloric Acid SCHEMBL3849122 0.78 KDM4E (0.40) POLBFLT3MAPK1NRASPTK6
Hydrochloric Acid SCHEMBL3846953 0.76 KIT (0.39) NPC1RAB9AFLT3NRASPTK6
SCHEMBL3323428 0.75 NPC1 (0.38) NPC1RAB9APOLBFLT3NRAS

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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US claimed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 NPC1 2126/4885RAB9A 2987/4885POLB 3202/4885

“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.