SCHEMBL17827698

SCHEMBL17827698

c1ccc(-c2ccc(-c3ncccc3N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CSNK1D P48730 1/20 0.42
MAPK14 Q16539 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHKA P35790 1/20 0.42
HTR2A P28223 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL17827666 0.97 MAPT (0.47) DHFRMAPTLMNACSNK1DMAPK14
SCHEMBL17827679 0.91 CHKA (0.47) DHFRMAPTLMNACSNK1DMAPK14
SCHEMBL17827674 0.87 HRH1 (0.49) DHFRMAPTLMNACYP3A4CHKA
SCHEMBL17827700 0.87 CHKA (0.53) MAPTLMNASMN1; SMN2CHKAALDH1A1
SCHEMBL17827672 0.87 HRH2 (0.49) DHFRMAPTMAPK14SMN1; SMN2CHKA
SCHEMBL17827699 0.85 MAPT (0.53) DHFRMAPTCYP3A4HRH2HRH1
SCHEMBL17827693 0.84 HTR7 (0.42) MAPTLMNACSNK1DMAPK14SMN1; SMN2
SCHEMBL17827687 0.84 HRH1 (0.53) DHFRMAPK14CYP3A4CHKAHRH1
SCHEMBL17827692 0.84 MAPT (0.44) MAPTUSP2CYP3A4SMN1; SMN2CHKA
SCHEMBL17827663 0.84 MAPT (0.55) DHFRMAPTCYP3A4HTR2AALDH1A1

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 DHFR 715/4885MAPT 4504/4885LMNA 2366/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR DHFR 715/4885MAPT 4504/4885LMNA 2366/4885

“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.