SCHEMBL17827656

SCHEMBL17827656

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.50
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
HTR2C P28335 2/20 0.43
MAPK1 P28482 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR1A P08908 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL17827659 0.83 OPRL1 (0.41) MAPTLMNAHTR2CMAPK1HTR3E
SCHEMBL16439231 0.81 CHKA (0.48) CHKAADRB2NCF1PLD1MAPT
SCHEMBL17831308 0.81 CHKA (0.48) CHKAADRB2NCF1PLD1MAPT
SCHEMBL17827634 0.81 CHKA (0.48) CHKAADRB2NCF1PLD1MAPT
SCHEMBL14334678 0.81 GRIN2D (0.51) CHKAADRB2NCF1PLD1MAPT
SCHEMBL17827679 0.80 CHKA (0.47) CHKAADRB2NCF1PLD1MAPT
SCHEMBL25337994 0.78 CYP1A2 (0.53) MAPTHTR2CMAPK1HTR3EHTR3B
SCHEMBL17827635 0.78 CHKA (0.44) CHKAADRB2NCF1PLD1MAPT
SCHEMBL14376531 0.78 CHKA (0.44) CHKAADRB2NCF1PLD1MAPT
SCHEMBL17827633 0.78 CHKA (0.44) CHKAADRB2NCF1PLD1MAPT

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 4208/4885ADRB2 2935/4885NCF1 2165/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR CHKA 4208/4885ADRB2 2935/4885NCF1 2165/4885

“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.