SCHEMBL12376575

SCHEMBL12376575

CC(C)(C)c1ccc(-n2ccnn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.63
▸ CYP19A1 P11511 1/20 0.50
▸ KEAP1 Q14145 1/20 0.43
▸ BRS3 P32247 1/20 0.42
▸ USP1 O94782 2/20 0.40
▸ WDR48 Q8TAF3 2/20 0.40
▸ KIF11 P52732 1/20 0.39

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
SCHEMBL10447781 0.83 NOTUM (0.78) NOTUMCYP19A1KEAP1BRS3
SCHEMBL239581 0.78 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL12776174 0.77 NOTUM (0.58) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL27775660 0.76 NOTUM (0.96) NOTUMCYP19A1KEAP1
SCHEMBL29084874 0.76 NOTUM (0.96) NOTUMCYP19A1KEAP1
SCHEMBL15496651 0.74 NOTUM (0.41) NOTUM
SCHEMBL9969400 0.74 NOTUM (0.54) NOTUMCYP19A1KEAP1BRS3USP1
SCHEMBL8117312 0.74 NOTUM (0.64) NOTUMCYP19A1KEAP1BRS3
SCHEMBL11102521 0.74 NOTUM (1.00) NOTUMCYP19A1KEAP1
SCHEMBL482167 0.74 NOTUM (0.64) NOTUMCYP19A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 — — US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 — — US disclosed
US-11578059-B2 KDM1A inhibitors for the treatment of disease Imago Biosciences. Inc. (US) 2023-02-14 — — US disclosed
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2021-04-22 — — US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 — — US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 — — US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 — — US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 — — US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 — — US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 — — US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 — — 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 (8 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC NOTUM 2701/4885CYP19A1 986/4885KEAP1 3118/4885
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 NOTUM 3982/4885CYP19A1 3029/4885KEAP1 1476/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A NOTUM 4680/4885CYP19A1 2956/4885KEAP1 1300/4885
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1A, KDM1B, KDM2A NOTUM 4635/4885CYP19A1 2345/4885KEAP1 995/4885
US-11578059-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A NOTUM 4680/4885CYP19A1 2956/4885KEAP1 1300/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 NOTUM 4356/4885CYP19A1 819/4885KEAP1 3764/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK NOTUM 4744/4885CYP19A1 1048/4885KEAP1 1812/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 NOTUM 4356/4885CYP19A1 819/4885KEAP1 3764/4885

“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.

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