SCHEMBL17363397

SCHEMBL17363397

Cn1ncc(N)c1-c1cc(Cl)ccc1C(=O)c1ccc(Cl)cc1-c1c(N)cnn1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
HTR2A P28223 8/20 0.40
HTR2C P28335 7/20 0.40
ABL1 P00519 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NOS2 P35228 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36

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
SCHEMBL15428695 0.81 HTR2B (0.44) HTR2AHTR2CJAK2JAK1
SCHEMBL403864 0.80 CYP3A4 (0.46) HTR2AHTR2CJAK2JAK1
SCHEMBL942635 0.76 HTR2A (0.54) RECQLHTR2AHTR2CKDM4ETDP1
SCHEMBL21500993 0.72 HTR2A (0.43) HTR2AHTR2CJAK2JAK1
SCHEMBL10823565 0.71 SMN1; SMN2 (0.52) KDM4ETDP1
SCHEMBL404089 0.69 PRMT5 (0.46) HTR2A
SCHEMBL10725158 0.69 SMN1; SMN2 (0.50) KDM4ETDP1
SCHEMBL10333600 0.68 RECQL (0.58) RECQLABL1KDM4E
SCHEMBL15973567 0.68 HTT (0.53) TDP1
SCHEMBL343083 0.68 RECQL (0.50) RECQLABL1KDM4ENOS2

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-20150376196-A1 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES Bayer Pharma AG (DE) 2015-12-31 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-20150376196-A1 4-SUBSTITUTED PYRROLO- AND PYRAZOLO-DIAZEPINES BRDT, BRD4, BRD3 RECQL 527/4885HTR2A 3532/4885HTR2C 3193/4885

“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.