SCHEMBL17827632

SCHEMBL17827632

Cc1cc2c(ccn2C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
CYP2A6 P11509 2/20 0.34
PIK3CB P42338 1/20 0.34
HTR2C P28335 2/20 0.34
JAK2 O60674 2/20 0.33
BTK Q06187 2/20 0.33
HSD11B1 P28845 1/20 0.32
PKM P14618 2/20 0.32
MEN1 O00255 2/20 0.32
TP53 P04637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR2B P41595 2/20 0.32
RECQL P46063 2/20 0.32
KMT2A Q03164 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL18239777 0.94 PRKCI (0.37) PRKCICYP2A6PIK3CBJAK2BTK
SCHEMBL16364676 0.84 JAK2 (0.37) PRKCICYP2A6PIK3CBHTR2CJAK2
SCHEMBL18239701 0.81 JAK2 (0.37) PRKCICYP2A6PIK3CBHTR2CJAK2
SCHEMBL24343793 0.80 JAK2 (0.33) JAK2BTK
SCHEMBL16439291 0.80 PRKCI (0.33) PRKCICYP2A6PIK3CBJAK2BTK
SCHEMBL31710389 0.78 TUBB4A (0.38) PRKCICYP2A6PIK3CB
SCHEMBL12432002 0.76 MAPK1 (0.36) IRAK4MAPK1LPLLIPG
SCHEMBL484221 0.75 PRKCI (0.46) PRKCICYP2A6PIK3CBHSD11B1IRAK4
SCHEMBL29894116 0.75 IRAK4 (0.46) PRKCICYP2A6IRAK4LPLLIPG
SCHEMBL29807685 0.75 PRKCI (0.46) PRKCICYP2A6PIK3CBHSD11B1IRAK4

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 PRKCI 4564/4885CYP2A6 2390/4885PIK3CB 885/4885
US-20160168124-A1 SUBSTITUTED PYRIDINE-PIPERAZINYL ANALOGUES AS RSV ANTIVIRAL COMPOUNDS MAVS, ZC3HAV1, PIR PRKCI 4564/4885CYP2A6 2390/4885PIK3CB 885/4885

“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.