SCHEMBL16670631

SCHEMBL16670631

CC=CC(=O)N1CCC2(CCN(c3cnc(Oc4ccc(Oc5cccc(F)c5)cc4)c(C(N)=O)c3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.39
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CYP3A4 P08684 8/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 8/20 0.38
HSD17B10 Q99714 5/20 0.38
HPGD P15428 3/20 0.38
CYP2D6 P10635 3/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
HIF1A Q16665 2/20 0.38
ALOX12 P18054 1/20 0.38
TSHR P16473 2/20 0.37
FAAH O00519 1/20 0.37
CYP1A2 P05177 4/20 0.37
SCN9A Q15858 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL16670630 1.00 BTK (0.39) BTKPARP14PARP10CYP3A4CYP2C19
SCHEMBL16671508 0.95 CYP3A4 (0.41) BTKPARP14PARP10CYP3A4CYP2C19
SCHEMBL16670513 0.91 BTK (0.48) BTKPARP14PARP10
SCHEMBL16670550 0.90 CYP3A4 (0.42) BTKPARP14PARP10CYP3A4CYP2C19
SCHEMBL16676710 0.87 CYP11B2 (0.41) PARP14PARP10CYP3A4CYP2C19ALDH1A1
SCHEMBL16670556 0.84 BTK (0.41) BTKPARP14PARP10
SCHEMBL16670558 0.84 BTK (0.41) BTKPARP14PARP10
SCHEMBL16670479 0.83 SLC6A2 (0.54) PARP14PARP10SCN9ASLC6A2SLC6A4
SCHEMBL16671083 0.82 BTK (0.55) BTK
SCHEMBL16670437 0.82 ALDH1A1 (0.42) CYP3A4CYP2C19ALDH1A1HSD17B10HPGD

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 1/4885PARP14 908/4885PARP10 966/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885PARP14 908/4885PARP10 966/4885

“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.