SCHEMBL16670842

SCHEMBL16670842

NC(=O)c1cc(N2CC3=CNCC3C2)cnc1Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.38
SYK P43405 1/20 0.36
ROCK2 O75116 1/20 0.36
CYP2C8 P10632 1/20 0.35
KCNH2 Q12809 1/20 0.35
CHEK1 O14757 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16670720 0.91 BTK (0.38) BTKKCNH2
SCHEMBL16670840 0.81 CHRNB2 (0.48) BTKSYK
SCHEMBL16670618 0.80 BTK (0.46) BTKCYP2C8KCNH2
SCHEMBL16670388 0.78 BTK (0.38) BTKSYKROCK2CYP2C8KCNH2
SCHEMBL20998610 0.78 BTK (0.46) BTKSYKRAB9A
SCHEMBL16670710 0.77 BTK (0.45) BTKSYK
SCHEMBL16671485 0.76 BTK (0.44) BTKSYKROCK2RAB9A
SCHEMBL16671812 0.75 BTK (0.47) BTKSYKKCNH2
SCHEMBL28835246 0.74 BTK (0.55) BTKSYK
SCHEMBL16670617 0.73 BTK (0.54) BTKCYP2C8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885SYK 2/4885ROCK2 670/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885SYK 2/4885ROCK2 670/4885

“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.