SCHEMBL20007996

SCHEMBL20007996

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)nc3)c(C#N)c2N)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.53
TNK2 Q07912 1/20 0.46
FGR P09769 1/20 0.43
FLT3 P36888 1/20 0.43
CSK P41240 1/20 0.43
BLK P51451 1/20 0.43
JAK3 P52333 1/20 0.43
ITK Q08881 1/20 0.43
GPR119 Q8TDV5 1/20 0.42

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
SCHEMBL19573625 0.90 BTK (0.56) BTKTNK2
SCHEMBL15472812 0.88 BTK (0.60) BTK
SCHEMBL15472813 0.87 BTK (0.62) BTK
SCHEMBL15472821 0.87 BTK (0.62) BTK
SCHEMBL28503533 0.85 BTK (0.56) BTK
SCHEMBL28503534 0.85 BTK (0.56) BTK
SCHEMBL19573548 0.84 BTK (0.49) BTK
SCHEMBL24197246 0.82 BTK (0.71) BTKFGRFLT3CSKBLK
SCHEMBL17060007 0.81 BTK (0.66) BTKFGRFLT3CSKBLK
SCHEMBL15756452 0.81 BTK (0.57) BTKITK

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-10875852-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-29 US disclosed
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-04-18 US disclosed
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 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 (3 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-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TNK2 189/4885FGR 204/4885
US-10875852-B2 Heteroaromatic compounds as BTK inhibitors BTK, SYK, LCK BTK 1/4885TNK2 189/4885FGR 204/4885
US-20190112302-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK BTK 1/4885TNK2 189/4885FGR 204/4885

“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.