SCHEMBL17827692

SCHEMBL17827692

CN(C)c1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKT1 P31749 1/20 0.41
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 3/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHKA P35790 2/20 0.38
AURKA O14965 2/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL12520590 0.89 ALDH1A1 (0.48) MAPTSMN1; SMN2AKT1CYP1A2HSD17B10
SCHEMBL17827679 0.86 CHKA (0.47) MAPTCHKAHTR1AHTR7ADRB2
SCHEMBL12520940 0.85 MAPT (0.53) MAPTSMN1; SMN2HSD17B10ALDH1A1HTR1A
SCHEMBL17827698 0.84 DHFR (0.46) MAPTSMN1; SMN2CYP3A4ALDH1A1USP2
SCHEMBL17827666 0.84 MAPT (0.47) MAPTCHKAHTR1AHTR7KDM4E
SCHEMBL17827674 0.83 HRH1 (0.49) MAPTCYP1A2CYP3A4CYP2D6CHKA
SCHEMBL17827672 0.83 HRH2 (0.49) MAPTSMN1; SMN2MAPK1CHKAHTR1A
SCHEMBL17827700 0.83 CHKA (0.53) MAPTSMN1; SMN2ALDH1A1CHKAAURKA
SCHEMBL17827693 0.82 HTR7 (0.42) MAPTSMN1; SMN2CLK4CHKAHTR1A
SCHEMBL17827663 0.82 MAPT (0.55) MAPTCYP1A2CYP3A4ALDH1A1CLK4

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 5 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-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 MAPT 4504/4885SMN1; SMN2 608/4885AKT1 2688/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR MAPT 4504/4885SMN1; SMN2 608/4885AKT1 2688/4885

“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.