SCHEMBL12880515

SCHEMBL12880515

CC(C)(C)NC(=O)Cc1ccccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GLS O94925 1/20 0.47
CYP1A2 P05177 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 2/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
MAPT P10636 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL966286 0.81 CA1 (0.56) CA1CA2CA5ACA7CA5B
SCHEMBL1032275 0.81 SMN1; SMN2 (0.53) TSHRCA1CA2CA5ACA7
SCHEMBL29672808 0.81 CA1 (0.56) CA1CA2CA5ACA7CA5B
Hydrochloric Acid SCHEMBL11689290 0.79 CA1 (0.55) CA1CA2CA5ACA7CA5B
SCHEMBL6796071 0.79 PDE5A (0.55) CA1CA2CA5ACA7CA5B
SCHEMBL10841694 0.78 POLB (0.55) L3MBTL1CA1CA2CA5ACA7
SCHEMBL5032696 0.78 POLB (0.58) L3MBTL1CA1CA2CA5ACA7
SCHEMBL13244843 0.78 SMN1; SMN2 (0.63) L3MBTL1TSHRPOLBSMN1; SMN2ALDH1A1
SCHEMBL24015947 0.77 SMN1; SMN2 (0.53) CA1CA2CA5ACA7CA5B
SCHEMBL13320414 0.77 CYP1A2 (0.50) TSHRPOLBSMN1; SMN2ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20110028509-A1 Sulfonamides MERCK SERONO SA (CH) 2011-02-03 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 (4 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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 L3MBTL1 3682/4885TSHR 4772/4885CA1 3085/4885
US-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 L3MBTL1 1016/4885TSHR 2042/4885CA1 4865/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP L3MBTL1 1076/4885TSHR 2088/4885CA1 4847/4885
US-20110028509-A1 Sulfonamides CXCR3, CXCR2, CXCR1 L3MBTL1 3680/4885TSHR 291/4885CA1 810/4885

“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.