SCHEMBL3459147

SCHEMBL3459147

O=Cc1c[nH]c2ccc(-c3cnccc3Br)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.56
CDK9 P50750 3/20 0.56
HASPIN Q8TF76 3/20 0.56
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2A6 P11509 3/20 0.43
IMPDH2 P12268 1/20 0.41
PIM1 P11309 2/20 0.41
CCNC P24863 2/20 0.40
CDK8 P49336 2/20 0.40
TDO2 P48775 3/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 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
SCHEMBL29954562 0.79 CCNT1 (0.58) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL29953157 0.77 NR4A2 (0.57) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL3460613 0.77 CCNT1 (0.44) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL12680496 0.76 CCNT1 (0.48) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL15331950 0.75 HASPIN (0.54) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL3459734 0.75 CYP2A6 (0.61) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL2263957 0.74 CCNT1 (0.62) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL12680501 0.72 ALDH1A1 (0.47) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL671217 0.71 CYP2A6 (0.74) CCNT1CDK9HASPINALDH1A1CYP1A2
SCHEMBL29664462 0.71 CCNT1 (0.62) CCNT1CDK9HASPINALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266892-A1 AMPK Modulators MERCURY THERAPEUTICS INC (US) 2015-09-24 US disclosed
US-8980895-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2015-03-17 US disclosed
US-20120302576-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2012-11-29 US disclosed
US-8273744-B2 AMPK modulators MERCURY THERAPEUTICS, INC. (US) 2012-09-25 US disclosed
EP-2240016-A1 AMPK MODULATORS Mercury Therapeutics, Inc. (US) 2010-10-20 EP disclosed
US-20100009992-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. 2010-01-14 US disclosed
WO-2009100130-A1 AMPK MODULATORS MERCURY THERAPEUTICS, INC. (US) 2009-08-13 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 (3 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-20150266892-A1 AMPK Modulators PRKAG1, PRKAG2, PRKAG3 CCNT1 3455/4885CDK9 1554/4885HASPIN 924/4885
US-20120302576-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 CCNT1 3455/4885CDK9 1554/4885HASPIN 924/4885
US-20100009992-A1 AMPK MODULATORS PRKAG1, PRKAG2, PRKAG3 CCNT1 3455/4885CDK9 1554/4885HASPIN 924/4885

“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.