SCHEMBL19025002

SCHEMBL19025002

Nc1nc2cccc(OC3CCN(C(=O)OCc4ccccc4)CC3)c2n1C1CCCCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4B Q07343 4/20 0.44
▸ GRIN2B Q13224 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 1/20 0.40
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ TMEM97 Q5BJF2 3/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ STING1 Q86WV6 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ ADRA1D P25100 2/20 0.36
▸ ADRA1A P35348 2/20 0.36

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
SCHEMBL19025000 1.00 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL29895888 0.91 PDE4B (0.44) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL28827679 0.91 PDE4B (0.44) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL17121774 0.91 PDE4B (0.44) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL19025015 0.81 EGFR (0.57) PDE4BCYP2D6CYP2C9STING1
SCHEMBL19025016 0.81 EGFR (0.57) PDE4BCYP2D6CYP2C9STING1
SCHEMBL18681346 0.77 KDM1A (0.44) PDE4B
SCHEMBL30557861 0.76 PDE4B (0.47) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL18669405 0.76 PDE4B (0.47) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1
SCHEMBL18669424 0.76 PDE4B (0.47) SMN1; SMN2CYP2C19PDE4BGRIN2BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CAPELLA THERAPEUTICS, INC. (US) 2023-10-17 — — US disclosed
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2023-08-31 — — US disclosed
EP-3922630-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Capella Therapeutics, Inc. (US) 2021-12-15 — — EP disclosed
EP-3119762-B9 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS INC (US) 2021-10-20 — — EP disclosed
EP-3119762-B1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS INC (US) 2021-05-26 — — EP disclosed
US-20200291007-A1 BENZIMIDAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CAPELLA THERAPEUTICS, INC. 2020-09-17 — — US disclosed
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2020-07-09 — — US disclosed
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2020-05-12 — — US disclosed
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CAPELLA THERAPEUTICS, INC. (US) 2020-03-17 — — US disclosed
US-20180291012-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS INC (US) 2018-10-11 — — US disclosed
US-20180273511-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CAPELLA THERAPEUTICS, INC. 2018-09-27 — — US disclosed
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer CAPELLA THERAPEUTICS, INC. (US) 2018-06-26 — — US disclosed
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER CAPELLA THERAPEUTICS, INC. (US) 2017-06-29 — — 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 (10 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-20180273511-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK SMN1; SMN2 4365/4885CYP2C19 474/4885PDE4B 1750/4885
US-11787788-B2 Benzimidazole derivatives, and pharmaceutical compositions and methods of use thereof CCNI, CYP2C19, PHB1 SMN1; SMN2 2199/4885CYP2C19 2/4885PDE4B 933/4885
US-20200216419-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK SMN1; SMN2 4365/4885CYP2C19 474/4885PDE4B 1750/4885
US-10647707-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885CYP2C19 657/4885PDE4B 3021/4885
US-20170183330-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885CYP2C19 657/4885PDE4B 3021/4885
US-10590108-B2 Benzimidazoles for use in the treatment of cancer and inflammatory diseases CHKB, CHKA, CHUK SMN1; SMN2 4365/4885CYP2C19 474/4885PDE4B 1750/4885
US-10005765-B2 Benzimidazole derivatives as ERBB tyrosine kinase inhibitors for the treatment of cancer ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885CYP2C19 657/4885PDE4B 3021/4885
US-20180291012-A1 BENZIMIDAZOLE DERIVATIVES AS ERBB TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ERBB2, ERBB4, ERBB3 SMN1; SMN2 4744/4885CYP2C19 657/4885PDE4B 3021/4885
US-20230271938-A1 BENZIMIDAZOLES FOR USE IN THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES CHKB, CHKA, CHUK SMN1; SMN2 4365/4885CYP2C19 474/4885PDE4B 1750/4885
US-20200291007-A1 BENZIMIDAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CCNI, CYP2C19, PHB1 SMN1; SMN2 2199/4885CYP2C19 2/4885PDE4B 933/4885

“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.

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