SCHEMBL17459014

SCHEMBL17459014

Cc1nn(Cc2ccccc2C#N)cc1N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CREBBP Q92793 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.39
BACE1 P56817 1/20 0.39
TSHR P16473 3/20 0.39
KLKB1 P03952 1/20 0.38
DPP4 P27487 3/20 0.38
TAS2R8 Q9NYW2 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL19223001 0.85 CYP19A1 (0.47) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL17458960 0.78 ALDH1A1 (0.45) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL19086755 0.75 ALDH1A1 (0.60) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL16832430 0.74 GAA (0.63) CYP19A1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL21587864 0.74 KDM4E (0.41) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL19087146 0.74 CREBBP (0.58) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL17458995 0.74 CYP19A1 (0.48) CYP19A1TSHRKLKB1
SCHEMBL17619948 0.72 KDM4E (0.48) CREBBPALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL23087619 0.71 CYP19A1 (0.44) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2
SCHEMBL17458868 0.71 NPBWR1 (0.47) CYP19A1CREBBPALDH1A1MAPTSMN1; SMN2

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 12 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-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 1271/4885CREBBP 715/4885ALDH1A1 432/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 CYP19A1 658/4885CREBBP 1056/4885ALDH1A1 325/4885

“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.