Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806218

SCHEMBL2806218

SCHEMBL2806218

CC(C)Nc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR2 P34972 5/20 0.36
▸ PTK2 Q05397 2/20 0.36
▸ CTSL P07711 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ BDKRB1 P46663 1/20 0.34
▸ PSMB11 A5LHX3 1/20 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
SCHEMBL2806675 0.92 PTK2 (0.38) BRAFEGFRRAB9ACYP1A2CYP2D6
SCHEMBL13128552 0.91 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2810010 0.90 RAB9A (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2806561 0.90 HDAC3 (0.39) BRAFRAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2808185 0.89 RAB9A (0.37) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2809030 0.89 CNR2 (0.39) BRAFEGFRRAB9ACYP1A2CYP2D6
SCHEMBL14856769 0.89 CNR2 (0.36) BRAFEGFRRAB9ACNR2PTK2
SCHEMBL2813390 0.89 EGFR (0.37) BRAFEGFRRAB9ACYP1A2CYP2D6
SCHEMBL2806512 0.89 RAB9A (0.37) BRAFEGFRRAB9ACYP1A2CYP2D6
SCHEMBL2806105 0.89 CNR2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2

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 7 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
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
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US 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 BRAF 3144/4885EGFR 1953/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BRAF 3144/4885EGFR 1953/4885RAB9A 347/4885

“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.