SCHEMBL17827682

SCHEMBL17827682

c1cnc(-c2cc3ccccc3o2)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
ADORA2A P29274 1/20 0.43
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
HRH1 P35367 1/20 0.39
PRKDC P78527 1/20 0.39
ATM Q13315 1/20 0.39
ADRA2A P08913 2/20 0.39
CYP19A1 P11511 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
SCHEMBL17827669 0.77 HRH1 (0.49) HRH3RAB9AKDM4EHRH1CYP19A1
SCHEMBL928359 0.75 ADRA2A (0.40) JAK2JAK3ADORA2AALDH1A1RAB9A
SCHEMBL17827666 0.75 MAPT (0.47) HRH3KDM4EMAPTLMNAHRH1
SCHEMBL17827679 0.75 CHKA (0.47) HRH3MAPTLMNAHRH1GAA
SCHEMBL17827686 0.74 DYRK1A (0.49) HRH3ADORA2ARAB9AKDM4EHRH1
SCHEMBL17827685 0.74 RIPK3 (0.42) HRH3MAPTNFKB1LMNAHRH1
SCHEMBL17827694 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTLMNA
SCHEMBL17827680 0.74 HRH1 (0.39) HRH3MAPTLMNAHRH1PRKDC
SCHEMBL17827648 0.74 ITK (0.47) HRH3HRH1CYP19A1
SCHEMBL17827691 0.74 PDGFRB (0.51) HRH3ALDH1A1RAB9ASMN1; SMN2NPC1

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 HRH3 567/4885JAK2 2081/4885JAK3 2055/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR HRH3 567/4885JAK2 2081/4885JAK3 2055/4885

“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.