SCHEMBL17827685

SCHEMBL17827685

c1cnc(-c2cccc3ccccc23)c(N2CCN(c3ccncc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 1/20 0.42
KDR P35968 1/20 0.41
METAP1 P53582 4/20 0.40
CHRM1 P11229 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BCHE P06276 1/20 0.39
HTR2A P28223 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTR1A P08908 1/20 0.38
CYP2D6 P10635 1/20 0.38
NCF1 P14598 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR7 P34969 1/20 0.38
MTOR P42345 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
SCHEMBL17827690 0.87 CHRM1 (0.49) KDRMETAP1CHRM1NCF1CHKA
SCHEMBL17827695 0.81 PTPN11 (0.41) CHRM1HRH1HRH3HTR2ANCF1
SCHEMBL17827644 0.81 PIK3CD (0.49) MTORHTR6MAPT
SCHEMBL17827661 0.80 MAP4K1 (0.43) CHRM1HRH1HRH3HTR1AHTR7
SCHEMBL17827694 0.79 ALDH1A1 (0.40) METAP1CHRM1HTR1ACHKASLC6A4
SCHEMBL17827666 0.78 MAPT (0.47) HRH1HRH3HTR1ANCF1HTR7
SCHEMBL17827679 0.78 CHKA (0.47) CHRM1HRH1HRH3HTR1ANCF1
SCHEMBL17827669 0.77 HRH1 (0.49) HRH1HRH3MAPK11MAPK14
SCHEMBL17827698 0.76 DHFR (0.46) HRH1HRH3HTR2AHTR1ANCF1
SCHEMBL17827710 0.76 CHKA (0.35) CHRM1HTR2ANCF1CHKAHTR2C

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 RIPK3 1534/4885KDR 1631/4885METAP1 1812/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR RIPK3 1534/4885KDR 1631/4885METAP1 1812/4885

“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.