SCHEMBL19002021

SCHEMBL19002021

Cc1cccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.36
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
ESR2 Q92731 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAS2R8 Q9NYW2 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GAA P10253 1/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL16968933 0.84 FFAR1 (0.52) FFAR1IRAK4ALDH1A1KDM4EL3MBTL1
SCHEMBL11931386 0.82 CREBBP (0.50) FFAR1CREBBPALDH1A1ESR2L3MBTL1
SCHEMBL15652720 0.82 FFAR1 (0.48) FFAR1IRAK4ALDH1A1L3MBTL1MAPT
SCHEMBL15652666 0.78 FFAR1 (0.48) FFAR1IRAK4ALDH1A1L3MBTL1MAPT
SCHEMBL14857878 0.76 FFAR1 (0.49) FFAR1IRAK4ALDH1A1L3MBTL1MAPT
SCHEMBL19358511 0.76 FFAR1 (0.49) FFAR1IRAK4ALDH1A1LMNAKDM4E
SCHEMBL16968992 0.76 FFAR1 (0.49) FFAR1IRAK4ALDH1A1KDM4ELPL
SCHEMBL29801395 0.76 CREBBP (0.52) FFAR1CREBBPALDH1A1TAS2R8LPL
SCHEMBL14165286 0.76 CREBBP (0.52) FFAR1CREBBPALDH1A1TAS2R8LPL
SCHEMBL16968944 0.76 FFAR1 (0.49) FFAR1IRAK4TAS2R8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975882-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-05-22 US disclosed
US-9815822-B2 2017-11-14 US disclosed
US-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-22 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 (1 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-20170174663-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK FFAR1 4479/4885IRAK4 103/4885CREBBP 1477/4885

“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.