SCHEMBL14630780

SCHEMBL14630780

COC(=O)C1CCCN(C2=C3C=NC=C[N+]3(Cl)C(Br)=N2)C1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
KMT2A Q03164 7/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
APAF1 O14727 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 3/20 0.31
OPRK1 P41145 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL14630563 0.86 HPGD (0.32) ATRATRIPKMT2AKDM4EHPGD
SCHEMBL14630323 0.81 KDM4E (0.34) ATRATRIPKMT2AKDM4EHPGD
SCHEMBL14630812 0.78 ALDH1A1 (0.41) KMT2AKDM4EMEN1SMN1; SMN2LMNA
SCHEMBL14630330 0.67 MAP4K4 (0.31)
SCHEMBL3664698 0.66 KDM4E (0.50) KMT2AKDM4EHPGDMEN1LMNA
SCHEMBL1129139 0.65 MEN1 (0.31) KMT2AMEN1SMN1; SMN2
SCHEMBL31401390 0.63 KDM4E (0.46) KMT2AKDM4EHPGDMEN1SMN1; SMN2
SCHEMBL1129636 0.63 ALDH1A1 (0.30) SMN1; SMN2ALDH1A1
SCHEMBL28087158 0.62 NOTUM (0.56) KMT2AHPGDMEN1SMN1; SMN2LMNA
SCHEMBL3452628 0.62 NOTUM (0.45) KMT2AKDM4EMEN1SMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 ATR 458/4885ATRIP 2267/4885KMT2A 1571/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 ATR 416/4885ATRIP 2260/4885KMT2A 1526/4885

“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.