SCHEMBL17045398

SCHEMBL17045398

COc1cccc(-c2c(Cl)cncc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PRKAG3 Q9UGI9 1/20 0.51
▸ PRKAG2 Q9UGJ0 1/20 0.51
▸ PRKAB1 Q9Y478 1/20 0.51
▸ GPR35 Q9HC97 1/20 0.50
▸ DHODH Q02127 5/20 0.49
▸ FABP3 P05413 1/20 0.48
▸ FABP4 P15090 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ EIF4E P06730 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ KDR P35968 1/20 0.45

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
SCHEMBL17045604 0.86 HSD17B1 (0.51) DHODHKMT2ALMNAALDH1A1GRIN2D
SCHEMBL17051187 0.79 DYRK1A (0.45) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17045589 0.77 SMN1; SMN2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1970226 0.75 LMNA (0.54) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27501023 0.75 GPR35 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6206680 0.73 GPR35 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7796258 0.73 GPR35 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15275756 0.72 CYP11B1 (0.57) ALDH1A1HPGDKDR
SCHEMBL5085746 0.71 HNF4A (0.63) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL24499492 0.70 ALDH1A1 (0.56) KMT2AALDH1A1HPGDPIN1HSD17B10

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
EP-3110818-B1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2019-10-23 — — EP disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 — — US disclosed
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-04-09 — — US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 — — US disclosed
US-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-07-27 — — US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 — — US disclosed
US-9580430-B2 9H-pyrimido[4,5-B]indoles and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-02-28 — — US disclosed
EP-3110818-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS The Regents of The University of Michigan (US) 2017-01-04 — — EP disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — WO disclosed
WO-2015131005-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — WO disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — US disclosed
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-03 — — 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 (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-20170210761-A1 9H-PYRIMIDO [4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 PRKAB2 3787/4885PRKAG1 3469/4885PRKAA2 2231/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 PRKAB2 3787/4885PRKAG1 3469/4885PRKAA2 2231/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 PRKAB2 3787/4885PRKAG1 3469/4885PRKAA2 2231/4885

“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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