SCHEMBL21906166

SCHEMBL21906166

Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.52
RECQL P46063 2/20 0.52
TSHR P16473 3/20 0.49
KHK P50053 1/20 0.49
SCN10A Q9Y5Y9 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
AKT1 P31749 4/20 0.42
AKT2 P31751 4/20 0.42
AKT3 Q9Y243 4/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL21906089 0.74 SCN10A (0.58) SCN10APOLB
SCHEMBL694057 0.74 SCN10A (0.44) ALDH1A1SCN10AKMT2ALMNAMEN1
SCHEMBL23779663 0.73 SCN10A (0.46) KDM4EALDH1A1HPGDHSD17B10RECQL
SCHEMBL25388809 0.71 SCN10A (0.53) ALDH1A1SCN10ASMN1; SMN2
SCHEMBL30562399 0.71 SCN10A (0.53) ALDH1A1SCN10ASMN1; SMN2
SCHEMBL30562784 0.70 SCN10A (0.55) SCN10APOLB
SCHEMBL25388901 0.70 SCN10A (0.55) SCN10APOLB
SCHEMBL26618030 0.70 SCN10A (0.40) SCN10ASMN1; SMN2PIK3CA
SCHEMBL31397681 0.69 SCN10A (0.38) SCN10A
SCHEMBL30668911 0.69 FFAR4 (0.43) KDM4EALDH1A1HPGDHSD17B10RECQL

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 9 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
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 KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A KDM4E 4101/4885ALDH1A1 1048/4885HPGD 393/4885

“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.