SCHEMBL16610686

SCHEMBL16610686

COc1nccc2c1c(-c1ccc(N3CCN(C(=O)CO)CC3)cc1)nn2-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.38
THRB P10828 1/20 0.38
ALK Q9UM73 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AKR1C3 P42330 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CDK2 P24941 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16610668 0.87 CKS1B (0.41) MAPTALKSMN1; SMN2MEN1KMT2A
SCHEMBL16610962 0.84 MAP4K1 (0.41) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL16611044 0.83 CYP17A1 (0.40) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL16611300 0.83 KHK (0.46) MAPK1ALDH1A1KCNH2
SCHEMBL16611486 0.80 AKR1C3 (0.38) MAPK1MAPTTHRBROCK2ROCK1
SCHEMBL16611684 0.79 RORC (0.43) CDK2
SCHEMBL16611134 0.78 FFAR4 (0.36) CDK2HTT
SCHEMBL16611302 0.77 ROCK2 (0.41) MAPK1MAPTSMN1; SMN2POLBROCK2
SCHEMBL16610536 0.77 BRAF (0.39) MAPTROCK2ROCK1MEN1KMT2A
SCHEMBL16611763 0.76 CCNA2 (0.43) MAPTALDH1A1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK1 32/4885MAPT 1208/4885THRB 4674/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 MAPK1 32/4885MAPT 1208/4885THRB 4674/4885

“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.