SCHEMBL17827701

SCHEMBL17827701

c1cc(-c2ccco2)cc(-c2ncccc2N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.38
DHFR P00374 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MET P08581 1/20 0.36
PRKDC P78527 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKT1 P31749 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17827655 0.90 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2CYP1A2
SCHEMBL17827671 0.80 DHFR (0.46) DHFRALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL17827662 0.80 HRH2 (0.52) DHFRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL17831329 0.80 MAPK14 (0.44) DHFRMAPTCHKA
SCHEMBL17827686 0.80 DYRK1A (0.49) DHFRKDM4EPRKDCL3MBTL1HRH2
SCHEMBL17827666 0.79 MAPT (0.47) DHFRKDM4ELMNAMAPTGAA
SCHEMBL17827679 0.79 CHKA (0.47) DHFRLMNAMAPTGAAHTT
SCHEMBL17827698 0.76 DHFR (0.46) DHFRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL17827681 0.75 CYP11B1 (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2POLB
SCHEMBL17827668 0.75 RIPK3 (0.46) ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027608-B1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-02-20 EP 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 (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-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR GRM5 2679/4885DHFR 715/4885ALDH1A1 2540/4885

“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.