SCHEMBL11266419

SCHEMBL11266419

NNc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.51
▸ BCL6 P41182 1/20 0.50
▸ BCOR Q6W2J9 1/20 0.50
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ CXCR2 P25025 2/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ GFER P55789 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL31357822 1.00 POLB (0.54) POLBGAABCL6BCORMAPT
SCHEMBL3374367 0.85 TDP1 (0.47) POLBGAAMAPTALDH1A1TDP1
Hydrochloric Acid SCHEMBL9594716 0.84 TDP1 (0.46) POLBGAAMAPTALDH1A1TDP1
SCHEMBL1464654 0.81 MAPT (0.58) POLBGAABCL6BCORMAPT
SCHEMBL28247841 0.79 MAPT (0.61) POLBGAAMAPTALDH1A1TDP1
SCHEMBL27470180 0.79 MAPT (0.61) POLBGAAMAPTALDH1A1TDP1
SCHEMBL29352891 0.79 MAPT (0.61) POLBGAAMAPTALDH1A1TDP1
SCHEMBL16140 0.79 MAPT (0.61) POLBGAAMAPTALDH1A1TDP1
SCHEMBL11323470 0.79 MAPT (0.54) POLBGAABCL6BCORMAPT
SCHEMBL11878500 0.78 GAA (0.56) POLBGAABCL6BCORMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838895-B1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 — — EP disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 — — US disclosed
US-9096579-B2 Amino-indolyl-substituted imidazolyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 — — US disclosed
EP-2838895-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2015-02-25 — — EP disclosed
EP-2668177-B1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-22 — — EP disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
US-8772305-B2 Substituted pyridinyl-pyrimidines and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 — — US disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 — — EP disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — US disclosed
WO-2013156608-A1 AMINO-INDOLYL-SUBSTITUTED IMIDAZOLYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-24 — — WO disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — US disclosed
US-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 — — US disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 — — WO disclosed
EP-0003619-B1 HETEROCYCLIC-SUBSTITUTED ANILIDE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND A METHOD OF CONTROLLING UNDESIRED PLANT GROWTH USING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-05-05 — — EP disclosed
US-4174958-A Anilide derivative herbicides SHELL OIL COMPANY (US) 1979-11-20 — — US disclosed
EP-0003619-A2 Heterocyclic-substituted anilide derivatives, a process for their preparation, herbicidal compositions containing them and a method of controlling undesired plant growth using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-22 — — EP 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-20130023502-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS ADORA1, P2RY1, P2RY11 POLB 935/4885GAA 4189/4885BCL6 3546/4885
US-20130281430-A1 Amino-Indolyl-Substituted Imidazolyl-Pyrimidines and Their Use as Medicaments INMT, IDO1, CHRM1 POLB 2445/4885GAA 4612/4885BCL6 106/4885

“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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