SCHEMBL283385

SCHEMBL283385

CN1CCN(c2ccc([N+](=O)[O-])cc2I)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.58
ALDH1A1 P00352 8/20 0.57
LMNA P02545 4/20 0.57
GAA P10253 2/20 0.57
WDR5 P61964 7/20 0.57
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2D6 P10635 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL29556892 1.00 SIRT6 (0.58) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL30464734 0.86 ALDH1A1 (0.66) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL2461666 0.86 ALDH1A1 (0.66) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL30410222 0.83 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL398803 0.83 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL15961236 0.83 SIRT6 (0.59) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL3313887 0.83 GAA (0.72) SIRT6ALDH1A1LMNAGAAHTT
SCHEMBL6830223 0.82 ALDH1A1 (0.62) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL29556648 0.82 ALDH1A1 (0.62) SIRT6ALDH1A1LMNAGAAWDR5
SCHEMBL30198175 0.82 ALDH1A1 (0.71) SIRT6ALDH1A1LMNAGAAWDR5

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
US-20230075765-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE TARGETING EGFR MUTATION, AS WELL AS THE PREPARATIVE METHOD AND THE USE THEREOF CHENGDU WEST CHINA PRECISION MEDICINE INDUSTRY TECHNOLOGY RESEARCH INSTITUTE CO., LTD (CN) 2023-03-09 US disclosed
CN-111848631-B Pyrrolo [2,3-d ] pyrimidine derivative targeting EGFR mutation and preparation method and application thereof 四川大学华西医院 2022-04-19 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-111848631-A Pyrrolo [2,3-d ] pyrimidine derivative targeting EGFR mutation and preparation method and application thereof 四川大学华西医院 2020-10-30 CN disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 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-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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
CN-102421761-A Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC 2012-04-18 CN 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
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SIRT6 446/4885ALDH1A1 1554/4885LMNA 2845/4885
US-20230075765-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE TARGETING EGFR MUTATION, AS WELL AS THE PREPARATIVE METHOD AND THE USE THEREOF EGFR, ERBB2, PTPN7 SIRT6 3376/4885ALDH1A1 2967/4885LMNA 4834/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 SIRT6 446/4885ALDH1A1 1554/4885LMNA 2845/4885

“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.