SCHEMBL17458995

SCHEMBL17458995

Cc1nn(Cc2ccc(C#N)cc2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.48
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
KLKB1 P03952 1/20 0.42
SLC2A1 P11166 1/20 0.42
SLC2A3 P11169 1/20 0.42
SLC2A4 P14672 1/20 0.42
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TSHR P16473 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
SCHEMBL19170440 0.84 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2KLKB1CYP2A6
SCHEMBL17458883 0.82 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2CYP2A6LOXL2
SCHEMBL17459093 0.82 RAB9A (0.48) CYP19A1CYP11B1CYP11B2SLC2A1
SCHEMBL28170054 0.82 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL17458920 0.81 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2CYP2A6LOXL2
SCHEMBL17458968 0.80 SLC2A1 (0.54) SLC2A1
SCHEMBL17459097 0.78 SLC2A1 (0.45) CYP19A1CYP11B1CYP11B2KLKB1SLC2A1
SCHEMBL19222837 0.78 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2SLC2A1SLC2A3
SCHEMBL17458882 0.78 KDM4E (0.46) CYP11B1KLKB1SLC2A1LOXL2
SCHEMBL17459011 0.77 MEN1 (0.49) CYP19A1KLKB1

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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO 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 (2 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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP19A1 1271/4885CYP11B1 451/4885CYP11B2 512/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP19A1 658/4885CYP11B1 312/4885CYP11B2 356/4885

“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.