SCHEMBL17835148

SCHEMBL17835148

Cc1nc2cc(C(CN)c3cccc(F)c3)ccc2s1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 3/20 0.38
POLB P06746 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL17835149 0.82 CNR1 (0.43) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL6000664 0.76 TAAR1 (0.56) SLC6A2SLC6A4
SCHEMBL19813386 0.75 F9 (0.41) SLC6A2SLC6A4
SCHEMBL3903476 0.73 HTR2A (0.64) SLC6A2SLC6A4
SCHEMBL30421999 0.73 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL1319670 0.73 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL85424 0.70 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL31359263 0.70 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2HSD17B10MAPT
SCHEMBL17835161 0.70 F9 (0.39) SLC6A2SLC6A4
SCHEMBL21915340 0.70 F9 (0.39) SLC6A2SLC6A4

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 8 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
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 NPC1 701/4885RAB9A 185/4885SMN1; SMN2 3148/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 NPC1 701/4885RAB9A 185/4885SMN1; SMN2 3148/4885

“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.