SCHEMBL77033

SCHEMBL77033

CC(C)(C)c1nonc1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 2/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IDO1 P14902 1/20 0.30

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
SCHEMBL10110813 0.65
SCHEMBL19021920 0.65
SCHEMBL21394021 0.64 LMNA (0.54) CYP1A2CYP2C19RECQLALOX15KMT2A
SCHEMBL1458149 0.63
SCHEMBL20091285 0.62 LMNA (0.32) LMNA
SCHEMBL28366110 0.61 RECQL (0.54) RECQLALOX15KMT2ARAB9ASMN1; SMN2
SCHEMBL573503 0.60 NPC1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL7231016 0.59 KDM4E (0.32) LMNASMN1; SMN2
SCHEMBL4569228 0.58 NOS3 (0.36) NPC1LMNATP53RAB9ASMN1; SMN2
SCHEMBL12564705 0.58

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11541059-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2023-01-03 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-10941162-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2021-01-07 US disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-10-31 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-10253047-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-9708348-B2 Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-07-18 US disclosed
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-08-04 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-9255108-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-02-09 US disclosed
US-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2015-04-16 US disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 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 (14 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-20150105385-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 CYP1A2 15/4885CYP2C19 51/4885RECQL 1870/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP CYP1A2 9/4885CYP2C19 30/4885RECQL 320/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 CYP1A2 1937/4885CYP2C19 1571/4885RECQL 4161/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 CYP1A2 110/4885CYP2C19 68/4885RECQL 1044/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-10941162-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 1439/4885CYP2C19 876/4885RECQL 1039/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 CYP1A2 681/4885CYP2C19 628/4885RECQL 2062/4885
US-11541059-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-20210000837-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-10253047-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB CYP1A2 1157/4885CYP2C19 1077/4885RECQL 535/4885
US-20160222016-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CYP1A2 2099/4885CYP2C19 1354/4885RECQL 1482/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP CYP1A2 9/4885CYP2C19 30/4885RECQL 320/4885

“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.