SCHEMBL17827670

SCHEMBL17827670

Clc1ccc(-c2ncccc2N2CCN(c3ccncc3)CC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
AKT1 P31749 1/20 0.41
MAPK13 O15264 2/20 0.40
MAPK12 P53778 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
DHFR P00374 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17827674 0.85 HRH1 (0.49) CA12CA1CA2CA9HRH2
SCHEMBL17827662 0.85 HRH2 (0.52) MAPK13MAPK12MAPK11MAPK14HRH2
SCHEMBL17827679 0.83 CHKA (0.47) CA12CA1CA2CA9MAPK14
SCHEMBL17827669 0.82 HRH1 (0.49) AKT1MAPK11MAPK14HRH1HRH3
SCHEMBL17827698 0.81 DHFR (0.46) CA12CA1CA2CA9MAPK14
SCHEMBL17827666 0.81 MAPT (0.47) CA12CA1CA2CA9MAPK14
SCHEMBL17827672 0.80 HRH2 (0.49) CA12CA1CA2CA9MAPK13
SCHEMBL17827700 0.80 CHKA (0.53) MAPTSMN1; SMN2LMNAL3MBTL1CHKA
SCHEMBL17827668 0.80 RIPK3 (0.46) MAPTLMNAL3MBTL1KDM4EALDH1A1
SCHEMBL17827681 0.80 CYP11B1 (0.46) PIK3CAPIK3CGMAPTSMN1; SMN2LMNA

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 METAP1 1812/4885CA12 4812/4885CA1 4883/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR METAP1 1812/4885CA12 4812/4885CA1 4883/4885

“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.