Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807541

SCHEMBL2807541

SCHEMBL2807541

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccccc4C(F)(F)F)cc3C)CCOC2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ BDKRB1 P46663 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ CNR2 P34972 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PLA2G1B P04054 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX12 P18054 1/20 0.32

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
SCHEMBL2805217 0.93 P2RX7 (0.36) BDKRB1HTTHDAC3HDAC1HDAC2
SCHEMBL2809208 0.92 BDKRB1 (0.40) DHODHBDKRB1HTTMEN1KMT2A
SCHEMBL2808146 0.92 OPRL1 (0.38) DHODHMAPK9MAPK10HDAC3HDAC1
SCHEMBL2810028 0.90 CNR2 (0.40) CNR2PDE2ACYP1A2CYP2C9CYP2C19
SCHEMBL2805403 0.89 BDKRB1 (0.38) DHODHMAPK9MAPK10BDKRB1HTT
SCHEMBL185507 0.89 BDKRB1 (0.38) DHODHMAPK9MAPK10BDKRB1HTT
SCHEMBL186544 0.89 FAAH (0.34) DHODHMAPK9MAPK10HTTMEN1
SCHEMBL2809623 0.88 BDKRB1 (0.39) MAPK9MAPK10BDKRB1HTTHDAC3
SCHEMBL14865367 0.87 OPRL1 (0.34) HDAC3HDAC1HDAC2HDAC6PDE2A
SCHEMBL2805565 0.86 OPRL1 (0.38) HDAC3HDAC1HDAC2HDAC6CNR2

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
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

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 2925/4885MAPK9 2738/4885MAPK10 1714/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885MAPK9 2738/4885MAPK10 1714/4885

“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.