SCHEMBL17827648

SCHEMBL17827648

c1cnc(-c2cc3ccccc3[nH]2)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.47
VCP P55072 7/20 0.43
CYP19A1 P11511 1/20 0.42
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
RET P07949 1/20 0.39
KDR P35968 1/20 0.39
P2RY1 P47900 1/20 0.38
GSK3B P49841 1/20 0.38
DRD4 P21917 1/20 0.38
AURKA O14965 1/20 0.37

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) CYP19A1HRH1HRH3
SCHEMBL17827680 0.76 HRH1 (0.39) CYP19A1HRH1HRH3
SCHEMBL17827666 0.75 MAPT (0.47) HRH1HRH3
SCHEMBL17827679 0.75 CHKA (0.47) HRH1HRH3
SCHEMBL17827641 0.74 CSNK1D (0.49) DRD4
SCHEMBL17827685 0.74 RIPK3 (0.42) HRH1HRH3KDR
SCHEMBL17827691 0.74 PDGFRB (0.51) HRH1HRH3
SCHEMBL17827682 0.74 HRH3 (0.44) CYP19A1HRH1HRH3
SCHEMBL17827698 0.73 DHFR (0.46) HRH1HRH3
SCHEMBL17827642 0.73 BRAF (0.44) HRH1HRH3KDRAURKA

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 ITK 3667/4885VCP 3101/4885CYP19A1 4463/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR ITK 3667/4885VCP 3101/4885CYP19A1 4463/4885

“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.