SCHEMBL16670703

SCHEMBL16670703

COC(=O)c1cc(N2C=C3CN(C(=O)OC(C)(C)C)CC3C2)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.37
HPGDS O60760 1/20 0.36
MAPT P10636 2/20 0.36
GHSR Q92847 1/20 0.35
LMNA P02545 1/20 0.35
ABL1 P00519 1/20 0.35
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
S1PR2 O95136 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
SCHEMBL16670226 0.92 TDP1 (0.38) TP53MAPTLMNAMEN1KMT2A
SCHEMBL16670238 0.92 TP53 (0.37) TP53HPGDSGHSRMEN1KMT2A
SCHEMBL16670760 0.84 BTK (0.41) TP53HPGDSMAPTLMNAMEN1
SCHEMBL16670702 0.83 ABL1 (0.38) TP53GHSRABL1
SCHEMBL16676760 0.77 GFER (0.43) EGFR
SCHEMBL16676805 0.77 ALDH1A1 (0.41)
SCHEMBL16676817 0.77 ALDH1A1 (0.44) TP53HPGDSABL1EGFRS1PR2
SCHEMBL16676659 0.76 ALDH1A1 (0.50) TP53HPGDSMAPTS1PR2
SCHEMBL16671416 0.76 CKS1B (0.42) HPGDSABL1
SCHEMBL16671584 0.76 BTK (0.44)

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 TP53 1292/4885HPGDS 1112/4885MAPT 4273/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK TP53 1292/4885HPGDS 1112/4885MAPT 4273/4885

“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.