SCHEMBL9537673

SCHEMBL9537673

Cc1cc(C(C)(C)C)cnc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
NNMT P40261 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
IKBKB O14920 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
CFTR P13569 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
KIF11 P52732 1/20 0.35
SYK P43405 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL15922616 0.84 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPTALDH1A1CFTR
SCHEMBL25934216 0.81 HTR1D (0.37) ALDH1A1HTR1DHTR1BPOLB
SCHEMBL3090048 0.79 NOS3 (0.48) NNMTMAPTIKBKBPOLBSYK
SCHEMBL24301085 0.77 NNMT (0.43) NNMTSMN1; SMN2KDM4EIKBKBALDH1A1
SCHEMBL2219734 0.77 NNMT (0.46) NNMTSMN1; SMN2LMNASYK
SCHEMBL4049472 0.76 L3MBTL1 (0.42) LRRK2NNMTKDM4EKMT2AL3MBTL1
SCHEMBL3129841 0.76 BACE1 (0.44) NNMTKDM4EALDH1A1KMT2A
SCHEMBL26928475 0.76 AGBL2 (0.50) NNMTSMN1; SMN2KDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL28641941 0.76 NNMT (0.44) NNMTSMN1; SMN2LMNASYK
SCHEMBL29621570 0.76 BACE1 (0.44) NNMTKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373933-A1 SMALL MOLECULE COMPOUND SERVING AS JAK KINASE INHIBITOR AND USE THEREOF TECHNODERMA MEDICINES INC (CN) 2023-11-23 US disclosed
EP-4227298-A1 SMALL MOLECULE COMPOUND SERVING AS JAK KINASE INHIBITOR AND USE THEREOF Technoderma Medicines Inc. (CN) 2023-08-16 EP disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 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 (1 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-20230373933-A1 SMALL MOLECULE COMPOUND SERVING AS JAK KINASE INHIBITOR AND USE THEREOF JAK1, TYK2, JAK2 LRRK2 302/4885NNMT 1128/4885SMN1; SMN2 4419/4885

“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.