SCHEMBL17459796

SCHEMBL17459796

Nc1ncccc1CC1CNCCN1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.39
LTA4H P09960 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
BACE1 P56817 1/20 0.35
PARP1 P09874 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP2D6 P10635 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL5347275 0.79 POLB (0.50) LTA4HHRH3CHRNB2CHRNA4
SCHEMBL28709343 0.79 PARP1 (0.40) CXCR4LTA4HHRH3PARP1CHRNB2
SCHEMBL18078 0.79 CHRNB4 (0.48) CXCR4LTA4HKDM1AMAOAMAOB
Hydrochloric Acid SCHEMBL29086107 0.75 KDM1A (0.40) LTA4HKDM1AMAOAMAOBBACE1
SCHEMBL27854563 0.74 SLC6A2 (0.42) KDM1AMAOAMAOBBACE1
SCHEMBL818603 0.74 LTA4H (0.43) LTA4HHRH3PARP1CYP2D6
SCHEMBL14698505 0.74 GBA1 (0.46) KDM1AMAOAMAOBHRH3BACE1
SCHEMBL2246688 0.72 PLG (0.45) LTA4HHRH3PARP1CYP2D6
SCHEMBL7501787 0.72 LTA4H (0.41) LTA4HHRH3PARP1CYP2D6
SCHEMBL27600947 0.72 LTA4H (0.41) LTA4HHRH3PARP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746072-B1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2023-04-12 EP disclosed
US-11352341-B2 2H-indazole derivatives as CDK4 and CDK6 inhibitors and therapeutic uses thereof BETA PHARMA, INC. (US) 2022-06-07 US disclosed
CN-110117273-B 2H-indazole derivatives as Cyclin Dependent Kinase (CDK) inhibitors and their medical use 贝达医药公司 2022-02-01 CN disclosed
EP-3191469-B1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2021-12-15 EP disclosed
US-20210139459-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2021-05-13 US disclosed
EP-3746072-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF Beta Pharma, Inc. (US) 2020-12-09 EP disclosed
CN-111989099-A 2H-indazole derivatives as CDK4 and CDK6 inhibitors and their therapeutic use 贝塔制药有限公司 2020-11-24 CN disclosed
WO-2019148161-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2019-08-01 WO disclosed
US-10239864-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA, INC. (US) 2019-03-26 US disclosed
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2018-05-31 US disclosed
US-9878994-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA INC. (US) 2018-01-30 US disclosed
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2017-07-27 US disclosed
EP-3191469-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF Beta Pharma, Inc. (US) 2017-07-19 EP disclosed
WO-2016014904-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2016-01-28 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 (5 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-10239864-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof CDK4, CDK6, CDK2 CXCR4 934/4885LTA4H 1194/4885KDM1A 878/4885
US-11352341-B2 2H-indazole derivatives as CDK4 and CDK6 inhibitors and therapeutic uses thereof CDK4, CDK6, CDK3 CXCR4 865/4885LTA4H 1639/4885KDM1A 583/4885
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF CDK4, CDK2, CDK3 CXCR4 1205/4885LTA4H 1462/4885KDM1A 1096/4885
US-20210139459-A1 2H-INDAZOLE DERIVATIVES AS CDK4 AND CDK6 INHIBITORS AND THERAPEUTIC USES THEREOF CDK4, CDK6, CDK3 CXCR4 865/4885LTA4H 1639/4885KDM1A 583/4885
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF CDK4, CDK3, CDK6 CXCR4 896/4885LTA4H 1089/4885KDM1A 892/4885

“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.