SCHEMBL17825650

SCHEMBL17825650

Cc1ccc(F)c2nc(Cl)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PTGER4 P35408 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 2/20 0.31

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
SCHEMBL20928111 0.84 ALDH1A1 (0.46) OPRK1KMT2ACCR1CCR5CCR8
SCHEMBL27189730 0.80 OPRK1 (0.41) OPRK1KMT2ACCR1CCR5CCR8
SCHEMBL2171151 0.77 BACE1 (0.32) KMT2AALDH1A1TDP1IDO1
SCHEMBL17542880 0.77 KDM4E (0.38) OPRK1KMT2ALMNAL3MBTL1TSHR
SCHEMBL31644809 0.77 OPRK1 (0.39) OPRK1KMT2ACCR1CCR5CCR8
SCHEMBL13905092 0.76 LMNA (0.50) KMT2ACCR1CCR5CCR8LMNA
SCHEMBL23025975 0.74
SCHEMBL3946386 0.74 LMNA (0.49) KMT2ACCR1CCR5CCR8LMNA
SCHEMBL29937565 0.72 LMNA (0.33) KMT2ALMNAPOLBPTGER4KDM4E
SCHEMBL25313179 0.72 LMNA (0.40) KMT2ACCR1CCR8LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 WO disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 OPRK1 3513/4885KMT2A 4286/4885CCR1 2920/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 OPRK1 3513/4885KMT2A 4286/4885CCR1 2920/4885

“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.