SCHEMBL17827673

SCHEMBL17827673

Clc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.41
HRH1 P35367 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH2 P25021 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
AKR1C3 P42330 1/20 0.39
GRM5 P41594 5/20 0.38
TRPV1 Q8NER1 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 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
SCHEMBL17827708 0.88 MEN1 (0.40) CHKAHRH1MEN1KMT2AHRH2
SCHEMBL17827674 0.82 HRH1 (0.49) CHKAHRH1MEN1KMT2AHRH2
SCHEMBL17827662 0.81 HRH2 (0.52) HRH1HRH2HRH3GAAMAPT
SCHEMBL17827670 0.79 METAP1 (0.43) CHKAHRH1HRH2HRH3CA12
SCHEMBL17827679 0.77 CHKA (0.47) CHKAHRH1HRH2HRH3CA12
SCHEMBL16439231 0.75 CHKA (0.48) CHKAHRH1HRH2HRH3AKR1C3
SCHEMBL17827666 0.74 MAPT (0.47) CHKAHRH1HRH2HRH3CA12
SCHEMBL17827700 0.74 CHKA (0.53) CHKAMAPT
SCHEMBL17827690 0.73 CHRM1 (0.49) CHKA
SCHEMBL17827685 0.73 RIPK3 (0.42) CHKAHRH1HRH3MAPT

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 CHKA 4208/4885HRH1 258/4885MEN1 4843/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CHKA 4208/4885HRH1 258/4885MEN1 4843/4885

“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.