SCHEMBL13166249

SCHEMBL13166249

CNc1cncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(C)cc4C(F)(F)F)cn3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 2/20 0.40
DHODH Q02127 5/20 0.33
KDM1A O60341 2/20 0.32
HDAC1 Q13547 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NTRK1 P04629 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTK2 Q05397 1/20 0.30
NAMPT P43490 2/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
CNR2 P34972 1/20 0.30
HTR1A P08908 1/20 0.30

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
SCHEMBL186065 0.93 BDKRB1 (0.41) BDKRB1HDAC1NTRK1PTK2CNR2
SCHEMBL186661 0.92 BDKRB1 (0.40) BDKRB1CYP2C19KDM4EPTK2CNR2
SCHEMBL2809229 0.91 BDKRB1 (0.41) BDKRB1DHODHCYP3A4CYP2C9CYP2C19
SCHEMBL185916 0.88 BDKRB1 (0.41) BDKRB1HDAC1NTRK1PTK2CNR2
SCHEMBL185792 0.86 BDKRB1 (0.40) BDKRB1CYP2C19KDM4EPTK2CNR2
SCHEMBL186490 0.86 OPRL1 (0.36) BDKRB1HDAC1NTRK1PTK2CNR2
SCHEMBL2804959 0.86 OPRL1 (0.36) BDKRB1HDAC1NTRK1PTK2CNR2
SCHEMBL186565 0.85 BDKRB1 (0.40) BDKRB1HDAC1NTRK1PTK2CNR2
SCHEMBL185686 0.84 BDKRB1 (0.39) BDKRB1CYP2C19KDM4ECNR2
SCHEMBL186019 0.83 BDKRB1 (0.40) BDKRB1CYP2C19KDM4ENAMPTCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885DHODH 2925/4885KDM1A 3672/4885

“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.