SCHEMBL17827655

SCHEMBL17827655

c1coc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHKA P35790 1/20 0.36
AKT1 P31749 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
P2RX3 P56373 2/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 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
SCHEMBL17827701 0.90 GRM5 (0.38) ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6
SCHEMBL17827664 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10CYP1A2CYP2D6
SCHEMBL17827679 0.84 CHKA (0.47) CHKAHTR1AHTR7HRH3LMNA
SCHEMBL17827698 0.82 DHFR (0.46) ALDH1A1SMN1; SMN2CHKAHTR1AHTR7
SCHEMBL17827666 0.82 MAPT (0.47) KDM4ECHKAHTR1AHTR7HRH3
SCHEMBL17827704 0.81 TACR3 (0.37) ALDH1A1KDM4ECYP1A2CYP2C19CHKA
SCHEMBL17827700 0.81 CHKA (0.53) ALDH1A1KDM4ESMN1; SMN2CHKAHTR1A
SCHEMBL17827674 0.81 HRH1 (0.49) CYP1A2CYP2D6CHKAHTR1AHTR7
SCHEMBL17827672 0.81 HRH2 (0.49) SMN1; SMN2CHKAHTR1AHTR7HRH3
SCHEMBL17827686 0.78 DYRK1A (0.49) KDM4ECHKAKCNH2HRH3L3MBTL1

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 ALDH1A1 2540/4885KDM4E 1166/4885HSD17B10 4697/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR ALDH1A1 2540/4885KDM4E 1166/4885HSD17B10 4697/4885

“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.