Sugi Predict

Sugi Predict / Compounds / SCHEMBL185873

SCHEMBL185873

SCHEMBL185873

CC(N)c1ccc(Nc2ccc(F)cc2C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 2/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ SCN8A Q9UQD0 2/20 0.34
▸ MAPK10 P53779 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ ACP1 P24666 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ AURKA O14965 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ RET P07949 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ ABL2 P42684 1/20 0.33
▸ BLK P51451 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33

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
SCHEMBL185604 0.88 RAB9A (0.38) MAPK10DHODHMEN1CYP1A2CYP2D6
SCHEMBL185791 0.88 OPRM1 (0.38) CHEK1CNR2KITFLT3SOS1
SCHEMBL185437 0.84 ALDH1A1 (0.45) AURKAFLT4MEN1CYP1A2CYP3A4
SCHEMBL27853654 0.84 DHODH (0.38) SCN1ASCN5ASCN8AMAPK10DHODH
SCHEMBL27853659 0.84 SCN1A (0.35) SCN1ASCN5ASCN8AMAPK10ACP1
Trifluoroacetic Acid SCHEMBL185819 0.81 MPO (0.36) MAPK10DHODHCNR2KITFLT3
SCHEMBL185079 0.79 IDO1 (0.36) MAPK10CHEK1ACP1AURKACHEK2
Hydrochloric Acid SCHEMBL2805866 0.78 IDO1 (0.38) MAPK10CHEK1ACP1AURKACHEK2
SCHEMBL27853712 0.76 ACP1 (0.35) MAPK10ACP1DHODHAURKACHEK2
SCHEMBL185795 0.76 JAK1 (0.39) MAPK10CHEK1FLT4MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 — — EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 — — CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 — — EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SCN1A 700/4885SCN5A 1085/4885SCN8A 1159/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 SCN1A 700/4885SCN5A 1085/4885SCN8A 1159/4885

“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.