SCHEMBL17827693

SCHEMBL17827693

CSc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
MAPK13 O15264 7/20 0.41
MAPK12 P53778 7/20 0.41
MAPK11 Q15759 7/20 0.41
MAPK14 Q16539 7/20 0.41
GCGR P47871 4/20 0.39
CHKA P35790 1/20 0.38
HTR1A P08908 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
KHK P50053 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP4K1 Q92918 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 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
SCHEMBL17827679 0.86 CHKA (0.47) HTR7MAPK14CHKAHTR1ALMNA
SCHEMBL17827698 0.84 DHFR (0.46) HTR7MAPK14CHKAHTR1ALMNA
SCHEMBL17827666 0.84 MAPT (0.47) HTR7MAPK14CHKAHTR1ALMNA
SCHEMBL17827672 0.83 HRH2 (0.49) HTR7MAPK13MAPK12MAPK11MAPK14
SCHEMBL17827674 0.83 HRH1 (0.49) HTR7CHKAHTR1ALMNAMAPT
SCHEMBL17827700 0.83 CHKA (0.53) HTR7CHKAHTR1ANPC1LMNA
SCHEMBL17827692 0.82 MAPT (0.44) HTR7CHKAHTR1ANPC1MAPT
SCHEMBL17827663 0.82 MAPT (0.55) HTR7HTR1ANPC1MAPTRAB9A
SCHEMBL17827699 0.81 MAPT (0.53) HTR7HTR1ANPC1MAPTRAB9A
SCHEMBL17827687 0.80 HRH1 (0.53) HTR7MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2017-10-12 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 US disclosed
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-16 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-20170291891-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR HTR7 3000/4885MAPK13 2054/4885MAPK12 1337/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR HTR7 3000/4885MAPK13 2054/4885MAPK12 1337/4885

“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.