SCHEMBL2593514

SCHEMBL2593514

CC(C)Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALPG P10696 1/20 0.45
PKM P14618 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APOBEC3G Q9HC16 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
SCHEMBL30886771 1.00 PDE7A (0.51) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL11202237 0.85 PDE7A (0.49) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL4910926 0.81 PDE7A (0.49) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL8941930 0.81 ALDH1A1 (0.50) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL10127002 0.80 TSHR (0.56) PDE7AHSD17B10SLC6A2SLC6A4SLC6A3
SCHEMBL3384869 0.79 PDE7A (0.58) PDE7ASMN1; SMN2HSD17B10SLC6A2SLC6A4
SCHEMBL1491752 0.79 PDE7A (0.39) PDE7ASMN1; SMN2MAPTALDH1A1TDP1
SCHEMBL11413362 0.79 TSHR (0.53) PDE7ASMN1; SMN2HSD17B10MAPTALDH1A1
SCHEMBL2061399 0.79 ATM (0.58) PDE7AMAPTALDH1A1TDP1KMT2A
SCHEMBL2847249 0.79 PDE7A (0.57) PDE7ASMN1; SMN2MAPTALDH1A1TDP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
WO-2021057867-A1 CLASS OF CDK INHIBITOR BASED ON ORGANIC ARSINE, PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海有机化学研究所 2021-04-01 WO disclosed
WO-2016199020-A1 PROCESS FOR PREPARATION OF CERITINIB DR. REDDY'S LABORATORIES LIMITED (IN) 2016-12-15 WO disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 US disclosed
EP-2257637-B1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
CN-104592068-A One-pot synthesis method of anticancer drug ceritinib intermediate 1-(isopropylsulfonyl)-2-nitrobenzene CHANGZHOU BAIAOWEI BIOTECHNOLOGY CO LTD 2015-05-06 CN disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith Gatekeeper Pharmaceuticals, Inc. 2013-05-30 US disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
WO-2011140338-A1 COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH Gatekeeper Pharmaceuticals, Inc. (US) 2011-11-10 WO disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 US disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 US disclosed
WO-2009120795-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 WO disclosed
US-4239688-A Herbicidal N-(haloacetyl)-N-(N'-methylenepyrrolidonyl-2-mercaptoalkylanilines GAF CORPORATION (US) 1980-12-16 US disclosed
US-4203901-A Process for making N-(N'-methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-20 US disclosed
US-4202821-A N-(N'-Methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-13 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 (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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 PDE7A 1540/4885SMN1; SMN2 1829/4885HSD17B10 2633/4885
US-20130137709-A1 Compounds that modulate EGFR activity and methods for treating or preventing conditions therewith EGFR, ERBB2, BRCA1 PDE7A 1540/4885SMN1; SMN2 1829/4885HSD17B10 2633/4885

“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.