Sugi Predict

Sugi Predict / Compounds / SCHEMBL2809140

SCHEMBL2809140

SCHEMBL2809140

Cc1cc(Nc2ccccc2C(F)(F)F)cnc1CNC(=O)C1(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2805242 0.90 DHODH (0.38) DHODHP2RX7
SCHEMBL2805291 0.89 P2RX7 (0.39) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL185134 0.83 DHODH (0.45) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL2809208 0.82 BDKRB1 (0.40) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL186879 0.81 BDKRB1 (0.44) DHODHMEN1KMT2AALDH1A1TSHR
SCHEMBL14856700 0.80 FAAH (0.38) DHODHMEN1KMT2AHPGDSIRT2
SCHEMBL2811328 0.80 MEN1 (0.40) MEN1KMT2AALDH1A1SIRT2TP53
SCHEMBL2809028 0.80 P2RX7 (0.38) P2RX7
SCHEMBL184945 0.79 MT-CO2 (0.43) MEN1KMT2AALDH1A1HTTHPGD
Hydrochloric Acid SCHEMBL2805860 0.79 P2RX7 (0.38) P2RX7

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 DHODH 2925/4885MEN1 314/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885MEN1 314/4885KMT2A 4682/4885

“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.