SCHEMBL520565

SCHEMBL520565

CN1CCN(C(=O)c2cccc(N)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
HPGD P15428 3/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MGLL Q99685 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 2/20 0.54
ADORA2A P29274 1/20 0.53
MAPK1 P28482 1/20 0.52
ADRA2C P18825 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
Hydrochloric Acid SCHEMBL10437647 0.98 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL4041012 0.94 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL10723960 0.88 HPGD (0.68) HPGDTSHRMEN1KMT2AGAA
SCHEMBL3093793 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL1877596 0.85 KDM4E (0.68) CA12CA1CA2CA7CA9
SCHEMBL15271489 0.85 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL3226822 0.84 HPGD (0.59) HPGDTSHRMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL7128756 0.83 KDM4E (0.66) CA12CA1CA2CA7CA9
SCHEMBL7090972 0.83 HPGD (0.66) CA12CA1CA2CA7CA9
SCHEMBL2377015 0.83 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117603141-A Peptidase neurolysin enhancer and preparation method and application thereof 江苏瑞思坦生物科技有限公司 2024-02-27 CN claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP claimed
CN-117603141-A Peptidase neurolysin enhancer and preparation method and application thereof 江苏瑞思坦生物科技有限公司 2024-02-27 CN disclosed
US-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF Hongyun Biotech Co., Ltd. (CN) 2023-10-05 US disclosed
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-09-01 US disclosed
EP-3993802-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-05-11 EP disclosed
CN-114340634-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2022-04-12 CN disclosed
WO-2021254464-A1 SUBSTITUTED QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 南京红云生物科技有限公司 2021-12-23 WO disclosed
WO-2021238827-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京红云生物科技有限公司 2021-12-02 WO disclosed
WO-2021003314-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-01-07 WO disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
EP-0596406-B1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1998-12-16 EP disclosed
US-5750699-A HALOGENATING OF CORRESPONDING COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5574042-A ANTAGONIST FOR BRADYKININS AS ANTIALLERGENS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, SHOCK OR PAIN FUJISAWA PHARMACEUTICAL CO., LTD (JP) 1996-11-12 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed
EP-0622361-A1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-02 EP disclosed
EP-0596406-A1 Imidazo (1,2-a) Pyridines as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-11 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-20230310428-A1 EGFR INHIBITOR AND PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 CA12 3244/4885CA1 4303/4885CA2 3833/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 CA12 4759/4885CA1 3975/4885CA2 3243/4885
US-20220273659-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CA12 3909/4885CA1 4375/4885CA2 4392/4885

“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.