SCHEMBL18176973

SCHEMBL18176973

CC(C)c1ncn(Cc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.43
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNF P01375 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL19871694 0.88 CYP19A1 (0.42) CYP19A1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL31271986 0.80 MAPT (0.38) HDAC1HDAC6ALDH1A1POLBMAPT
SCHEMBL18029763 0.77 CYP19A1 (0.47) CYP19A1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL17131658 0.76 ALDH1A1 (0.46) CYP19A1HDAC1HDAC6ALDH1A1NPC1
SCHEMBL25416318 0.74 CYP19A1 (0.48) CYP19A1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL2360983 0.73 CYP19A1 (0.47) CYP19A1HDAC1HDAC6KDM4ECYP11B1
SCHEMBL28868948 0.73 CYP19A1 (0.47) CYP19A1HDAC1HDAC6ALDH1A1NPC1
SCHEMBL13412422 0.73 CYP11B1 (0.49) CYP19A1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL16014748 0.73 HDAC1 (0.58) CYP19A1HDAC1HDAC6ALDH1A1KDM4E
SCHEMBL8560818 0.73 CYP19A1 (0.47) CYP19A1HDAC1HDAC6ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845715-B2 2023-12-19 US disclosed
US-11845715-B2 2023-12-19 US disclosed
US-11130731-B2 Sulfonylureas and related compounds and use of same THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2021-09-28 US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME INFLAZOME LIMITED (IE) 2018-02-15 US disclosed
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-9783531-B2 Thiazole-substituted aminoheteroaryls as spleen tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-10 US disclosed
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-27 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-11845715-B2 NLRP3, PYCARD, NOD1 CYP19A1 4319/4885HDAC1 1352/4885HDAC6 1057/4885
US-11130731-B2 Sulfonylureas and related compounds and use of same NLRP3, PYCARD, IAPP CYP19A1 4404/4885HDAC1 2157/4885HDAC6 1704/4885
US-20180044287-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME NLRP3, PYCARD, IAPP CYP19A1 4404/4885HDAC1 2157/4885HDAC6 1704/4885
US-20160311813-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS SYK, TYRO3, BTK CYP19A1 2516/4885HDAC1 1918/4885HDAC6 1877/4885

“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.