SCHEMBL17827677

SCHEMBL17827677

COc1cc(-c2ncccc2N2CCN(c3ccncc3)CC2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
METAP1 P53582 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LRRK2 Q5S007 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.39
GRM5 P41594 1/20 0.38
KHK P50053 1/20 0.38
DHFR P00374 1/20 0.38
NPC1 O15118 1/20 0.38
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
FAAH O00519 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
SCHEMBL17827688 0.84 SMARCA2 (0.51) SMARCA2SMARCA4METAP1MAPTRAB9A
SCHEMBL17827675 0.83 KIT (0.43) HTR1AHTR7MAPTKMT2ASLC2A1
SCHEMBL17827676 0.83 PIK3CA (0.40) HTR1AHTR7MAPTRAB9AKMT2A
SCHEMBL17827679 0.83 CHKA (0.47) HTR1AHTR7MAPTCHRM1DHFR
SCHEMBL17831329 0.81 MAPK14 (0.44) HTR1AHTR7MAPTDHFR
SCHEMBL17827663 0.81 MAPT (0.55) HTR1AHTR7METAP1MAPTRAB9A
SCHEMBL17827699 0.81 MAPT (0.53) HTR1AHTR7METAP1MAPTRAB9A
SCHEMBL17827666 0.78 MAPT (0.47) HTR1AHTR7MAPTDHFR
SCHEMBL17827662 0.77 HRH2 (0.52) HTR1AHTR7LRRK2MAPTCHRM1
SCHEMBL17827669 0.77 HRH1 (0.49) RAB9ACYP17A1CYP19A1

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 SMARCA2 2385/4885SMARCA4 1295/4885HTR1A 3595/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR SMARCA2 2385/4885SMARCA4 1295/4885HTR1A 3595/4885

“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.