SCHEMBL328462

SCHEMBL328462

Cc1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.49
ALDH1A1 P00352 8/20 0.49
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.47
SIRT6 Q8N6T7 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL30464731 1.00 WDR5 (0.49) WDR5ALDH1A1KMT2APOLBHTT
SCHEMBL10036447 0.95 KMT2A (0.50) WDR5ALDH1A1KMT2APOLBHTT
SCHEMBL10127825 0.90 KMT2A (0.47) WDR5ALDH1A1KMT2APOLBHTT
SCHEMBL10126825 0.90 GAA (0.51) ALDH1A1KMT2AHTTLMNASMN1; SMN2
SCHEMBL1813669 0.90 MEN1 (0.58) ALDH1A1KMT2AHTTLMNASMN1; SMN2
SCHEMBL15244456 0.88 HTT (0.46) WDR5ALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL10036442 0.88 ALDH1A1 (0.59) WDR5ALDH1A1KMT2AHTTLMNA
SCHEMBL30464729 0.88 ALDH1A1 (0.59) WDR5ALDH1A1KMT2AHTTLMNA
SCHEMBL30410222 0.87 ALDH1A1 (0.61) WDR5ALDH1A1KMT2APOLBHTT
SCHEMBL398803 0.87 ALDH1A1 (0.61) WDR5ALDH1A1KMT2APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
CN-113896744-A Selective EGFR inhibitor 成都先导药物开发股份有限公司 2022-01-07 CN disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 CN disclosed
CN-112724144-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2021-04-30 CN disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
CN-111718348-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2020-09-29 CN disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2014-05-22 US disclosed
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
WO-2010128659-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-11-11 WO 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 WDR5 1248/4885ALDH1A1 1554/4885KMT2A 103/4885
US-20140142084-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 WDR5 630/4885ALDH1A1 1620/4885KMT2A 587/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 WDR5 1248/4885ALDH1A1 1554/4885KMT2A 103/4885

“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.