SCHEMBL4797142

SCHEMBL4797142

NC(=O)c1ccccc1C[CH]c1cc(-c2ccc3[nH]ccc(=O)c3c2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.38
NUDT1 P36639 1/20 0.36
BTK Q06187 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ICMT O60725 6/20 0.33
CDC7 O00311 1/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CSF1R P07333 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL4806388 0.82 CSF1R (0.37) BTKMKNK1MKNK2CDC7CSF1R
SCHEMBL4796029 0.81 ACVR1 (0.47) PARP1
SCHEMBL5168511 0.80 SIRT2 (0.42) MKNK2CDC7DYRK1BIKBKBCHUK
SCHEMBL4798614 0.78 PDPK1 (0.47) MKNK1MKNK2CHUK
SCHEMBL4797881 0.78 MKNK2 (0.47) GPR52BTKMKNK1MKNK2CDC7
SCHEMBL4804892 0.76 MAP4K4 (0.46) BTKMKNK2CDC7IKBKBCHUK
SCHEMBL4806535 0.76 PARP1 (0.40) BTKMKNK1MKNK2CDC7IKBKB
SCHEMBL4803121 0.74 F11 (0.41) BTKPI4K2AMKNK1MKNK2CSF1R
SCHEMBL4809955 0.73 CYP11B2 (0.45) GPR52BTKCDC7
SCHEMBL4158841 0.71 BRD4 (0.36) PI4K2AMKNK1MKNK2

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-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; BRISTOL-MYERS SQUIBB COMPANY 2006-01-12 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-20060009455-A1 especially blood coagulation factor XIa and plasma kallikrein; e.g. 4-aminomethyl-[2-phenyl-1-(4-phenyl-pyridin-2-yl)-ethyl]-trans cyclohexanecarboxamide; anticoagulant, antiinflammatory agent; F12, F11, F2 GPR52 1985/4885NUDT1 4626/4885BTK 426/4885

“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.