SCHEMBL19958489

SCHEMBL19958489

CC(C)(C)C(=O)Nc1cc(C#N)ccn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM5 P41594 4/20 0.42
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRAF P15056 2/20 0.41
ADORA1 P30542 1/20 0.40
CNR2 P34972 1/20 0.40
USP30 Q70CQ3 1/20 0.40
TYK2 P29597 1/20 0.40
GRM4 Q14833 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
SCHEMBL3558994 0.82 L3MBTL1 (0.52) RORCCYP3A4GRM5L3MBTL1TYK2
SCHEMBL25209850 0.82 LMNA (0.45) RORCLMNACYP1A2CYP3A4CYP2C9
SCHEMBL3456534 0.81 EGLN2 (0.47) RORCCYP3A4GRM5
SCHEMBL15205400 0.80 GRM5 (0.44) RORCGRM5BRAFUSP30TYK2
SCHEMBL1490730 0.79 GCK (0.54) RORCGRM5BRAFUSP30TYK2
SCHEMBL2035487 0.79 LMNA (0.68) LMNACYP1A2CYP2C19
SCHEMBL18785787 0.79 LMNA (0.53) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL856063 0.78 MEN1 (0.53) L3MBTL1USP30
SCHEMBL19151107 0.78 TYK2 (0.50) RORCLMNAGRM5BRAFADORA1
SCHEMBL209579 0.78 LMNA (0.49) RORCLMNACYP1A2CYP3A4CYP2C9

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-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 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 (5 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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 RORC 1182/4885LMNA 1523/4885CYP1A2 1481/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 RORC 1182/4885LMNA 1523/4885CYP1A2 1481/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 RORC 1182/4885LMNA 1523/4885CYP1A2 1481/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 RORC 1182/4885LMNA 1523/4885CYP1A2 1481/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 RORC 1182/4885LMNA 1523/4885CYP1A2 1481/4885

“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.