SCHEMBL21906129

SCHEMBL21906129

Ic1ccnc(SCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPT P10636 4/20 0.43
SCN9A Q15858 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL30665391 1.00 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL21906037 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL19925549 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL21906009 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL29464847 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL1828420 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL30841348 0.79 HSD17B10 (0.50) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL30990696 0.78 ABL1 (0.49) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL6216701 0.76 ABL1 (0.48) HSD17B10ABL1RIN1NPC1RAB9A
SCHEMBL400161 0.76 POLB (0.70) HSD17B10ABL1RIN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-13 US disclosed
US-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2025-01-14 US disclosed
CN-113272293-B 2-Amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitor 默沙东有限责任公司 2024-06-14 CN disclosed
WO-2023207949-A1 FUSED RING COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2023-11-02 WO disclosed
CN-116947713-A Ring-merging compound and application thereof 中国科学院上海药物研究所 2023-10-27 CN disclosed
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-09-15 US disclosed
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2022-07-05 US disclosed
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-16 US disclosed
EP-3873893-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
CN-113272293-A 2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors 默沙东公司 2021-08-17 CN disclosed
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-05-07 US 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 (6 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-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A HSD17B10 2558/4885ABL1 1313/4885RIN1 1908/4885

“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.