SCHEMBL17045604

SCHEMBL17045604

CNC(=O)c1cncc(Cl)c1-c1cccc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.51
▸ PLK1 P53350 1/20 0.50
▸ MTNR1A P48039 1/20 0.45
▸ NR1H2 P55055 1/20 0.44
▸ NR1H3 Q13133 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ DGAT2 Q96PD7 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL17045398 0.86 PRKAB2 (0.51) KDM4ELMNAKMT2ADHODHGRIN2D
SCHEMBL17051187 0.76 DYRK1A (0.45) NR1H2NR1H3KDM4EMAPTLMNA
SCHEMBL22573718 0.70 HSD17B1 (0.53) HSD17B1PLK1MTNR1AMAPTALDH1A1
SCHEMBL7984549 0.70 TYK2 (0.62) PLK1MTNR1AKDM4EMAPTNPSR1
SCHEMBL11037222 0.70 TYK2 (0.62) PLK1MTNR1AKDM4EMAPTCYP1A2
SCHEMBL5065634 0.68 GRIN1 (0.51) LMNAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3009331 0.68 HSD17B1 (1.00) HSD17B1PLK1MTNR1AKDM4EMEN1
SCHEMBL11962149 0.67 PLK1 (1.00) PLK1MAPTLMNAMEN1KMT2A
SCHEMBL17045589 0.67 SMN1; SMN2 (0.42) KDM4EMAPTLMNAMEN1KMT2A
SCHEMBL17051185 0.66 RPS6KA3 (0.61) KDM4EMAPTLMNACYP1A2CYP3A4

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
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
CN-107074861-A 9H pyrimido [4,5-B ] indoles and related analogs as BET bromodomain inhibitors 密执安大学评议会 2017-08-18 — — CN 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 HSD17B1 2164/4885PLK1 173/4885MTNR1A 427/4885
US-10253044-B2 9H-pyrimido [4,5-b]indoles and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD1 HSD17B1 2164/4885PLK1 173/4885MTNR1A 427/4885
US-20150246923-A1 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 HSD17B1 2164/4885PLK1 173/4885MTNR1A 427/4885

“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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