SCHEMBL17831302

SCHEMBL17831302

Cn1ccc2cc(C(F)(F)F)c(-c3ncccc3N3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KIT P10721 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CCNA1 P78396 2/20 0.33
FAAH O00519 1/20 0.33
AURKA O14965 1/20 0.33
CCNK O75909 1/20 0.33
SLC2A1 P11166 1/20 0.33
PIM1 P11309 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33
MTOR P42345 1/20 0.33
GSK3B P49841 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL17827713 0.93 FAAH (0.32) IDO1TDO2KITFLT4KDR
SCHEMBL17827646 0.86 FAAH (0.35) FAAHHTR2C
SCHEMBL16439232 0.79 PDE10A (0.43) FAAH
SCHEMBL17827683 0.79 FAAH (0.47) FAAH
SCHEMBL17827661 0.76 MAP4K1 (0.43)
SCHEMBL16439300 0.71 FAAH (0.40) FAAH
SCHEMBL16439226 0.70 ADRA2A (0.41)
SCHEMBL17827679 0.68 CHKA (0.47)
SCHEMBL16439255 0.67 PDE10A (0.42) TRPV1GSK3B
SCHEMBL17827685 0.67 RIPK3 (0.42) KDRMTORHTR2C

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 2 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-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 IDO1 1372/4885TDO2 3849/4885KIT 1929/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR IDO1 1372/4885TDO2 3849/4885KIT 1929/4885

“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.