SCHEMBL16670587

SCHEMBL16670587

COC(=O)c1cc(I)cnc1Oc1ccc(Oc2cccc(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
PTGER4 P35408 3/20 0.44
PTGER2 P43116 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
ABL1 P00519 1/20 0.42
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.39
GCK P35557 2/20 0.39
CDK8 P49336 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EGFR P00533 1/20 0.37
ERBB4 Q15303 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL4447295 0.88 HPGD (0.51) TDP1PTGER4PTGER2HPGDKDM4E
SCHEMBL16670366 0.88 TDP1 (0.59) TDP1HPGD
SCHEMBL13934810 0.86 TDP1 (0.49) TDP1PTGER4PTGER2MRGPRX4ABL1
SCHEMBL5366160 0.82 PTGER4 (0.61) TDP1PTGER4PTGER2MRGPRX4
Methyl Alcohol SCHEMBL28758423 0.81 PTGER4 (0.60) TDP1PTGER4PTGER2MRGPRX4
SCHEMBL20998605 0.81 TDP1 (0.41) TDP1PTGER4PTGER2MRGPRX4ABL1
SCHEMBL4449431 0.76 PTGER4 (0.57) TDP1PTGER4PTGER2HPGDKDM4E
SCHEMBL20998606 0.75 TDP1 (0.39) TDP1PTGER4PTGER2MRGPRX4ABL1
SCHEMBL9937559 0.75 RAB9A (0.57) MRGPRX4ABL1HPGDMGLLKDM4E
SCHEMBL16676662 0.74 TDP1 (0.60) TDP1PTGER4HPGDCYP1A2CYP2C19

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 TDP1 1162/4885PTGER4 2926/4885PTGER2 2732/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK TDP1 1162/4885PTGER4 2926/4885PTGER2 2732/4885

“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.