SCHEMBL2778997

SCHEMBL2778997

O=C(O)Cc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SNCA P37840 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1B1 P15121 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
VCAM1 P19320 1/20 0.39
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38

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
SCHEMBL9565704 1.00 CYP1A2 (0.57) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL26343277 0.91 CYP1A2 (0.58) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL2728932 0.90 CYP1A2 (0.53) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL17009732 0.86 CYP1A2 (0.53) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL4283725 0.86 CYP1A2 (0.53) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL15577394 0.85 CYP1A2 (0.53) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL15577420 0.85 CYP1A2 (0.49) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL29706788 0.85 CYP1A2 (0.53) CYP1A2MEN1KMT2ARAB9AATM
SCHEMBL17375033 0.85 CYP1A2 (0.51) CYP1A2MEN1KMT2AATMTDP1
SCHEMBL17009935 0.82 CYP1A2 (0.49) CYP1A2MEN1KMT2ARAB9AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2013-11-14 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-8329682-B2 Pyrrolo-nitrogenous heterocyclic derivatives, the preparation and the pharmaceutical use thereof SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-12-11 US disclosed
US-8299069-B2 2-(2-oxoindoline-3-ylidene)methyl-5-(2-hydroxy-3-morpholin-4-yl-propyl)-6,7-dihydro-1H-pyrrol[3,2-C]pyridine-4(5H)-one compounds and use as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-10-30 US disclosed
US-8299069-B2 2-(2-oxoindoline-3-ylidene)methyl-5-(2-hydroxy-3-morpholin-4-yl-propyl)-6,7-dihydro-1H-pyrrol[3,2-C]pyridine-4(5H)-one compounds and use as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2012-10-30 US disclosed
EP-2179998-B1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL -PROPYL)-6,7-DIHYDRO -1H- PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2012-08-29 EP disclosed
US-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-06-24 US disclosed
US-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2010-06-24 US disclosed
EP-2179998-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL -PROPYL)-6,7-DIHYDRO -1H- PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-04-28 EP disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US disclosed
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD (CN) 2010-03-25 US disclosed
EP-2157093-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-02-24 EP disclosed
US-5252536-A Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-10-12 US disclosed
EP-0549892-A1 Substituted indolinones useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1993-07-07 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 (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-20100160317-A1 2-(2-OXOINDOLINE-3-YLIDENE)METHYL-5-(2-HYDROXY-3-MORPHOLIN-4-YL-PROPYL)-6,7-DIHYDRO-1H-PYRROL[3,2-C]PYRIDINE-4(5H)-ONE COMPOUNDS AND USE AS PROTEIN KINASE INHIBITORS DMPK, MAP4K2, PLK2 CYP1A2 1792/4885MEN1 2836/4885KMT2A 1140/4885
US-20100075952-A1 PYRROLO-NITROGENOUS HETEROCYCLIC DERIVATIES,THE PREPARATION AND THE PHARMCETICAL USE THEEOF MTOR, PKN2, MAP3K15 CYP1A2 981/4885MEN1 1914/4885KMT2A 2878/4885
US-20130303518-A1 Methods of Inhibiting the Catalytic Activity of a Protein Kinase and of Treating a Protein Kinase Related Disorder PRKACA, PACSIN2, PRKACB CYP1A2 4213/4885MEN1 1892/4885KMT2A 2176/4885

“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.