SCHEMBL17827634

SCHEMBL17827634

Brc1cccnc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.48
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
PLD1 Q13393 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
DRD2 P14416 2/20 0.40
HTR2A P28223 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
EED O75530 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL17827656 0.81 CHKA (0.50) CHKAADRB2NCF1PLD1MAPT
SCHEMBL27703385 0.80 CYP1A2 (0.49) MAPTMAPK1ALDH1A1TRPV1
SCHEMBL20406252 0.80 CYP1A2 (0.53) MAPTMAPK1ALDH1A1TRPV1
SCHEMBL14334678 0.80 GRIN2D (0.51) CHKAADRB2NCF1PLD1MAPT
SCHEMBL1432779 0.79 CYP1A2 (0.56) LMNAMAPK1ALDH1A1
SCHEMBL10112808 0.79 HRH4 (0.53)
SCHEMBL14376531 0.76 CHKA (0.44) CHKAADRB2NCF1PLD1MAPT
SCHEMBL2415357 0.76 EPHX2 (0.59) PLD1ALDH1A1HTR2A
SCHEMBL28112415 0.75 CHKA (0.80) CHKAADRB2NCF1PLD1MAPT
SCHEMBL7236851 0.75 KMT2A (0.62) CHKAMAPTLMNAALDH1A1

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.