SCHEMBL21408538

SCHEMBL21408538

CCOC(=O)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.79
KCNH2 Q12809 2/20 0.79
KDM4E B2RXH2 3/20 0.68
PSMB1 P20618 6/20 0.68
PSMB5 P28074 6/20 0.68
PSMB2 P49721 4/20 0.68
KMT2A Q03164 2/20 0.64
LTA4H P09960 1/20 0.63
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
THRB P10828 2/20 0.59
CYP1A2 P05177 1/20 0.59
CHRM2 P08172 1/20 0.59
CHRM4 P08173 1/20 0.59
CHRM5 P08912 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ADRA2C P18825 1/20 0.59

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
SCHEMBL228881 0.99 KCNH2 (0.81) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL223800 0.99 KCNH2 (0.81) HRH3KCNH2KDM4EPSMB1PSMB5
Hydrochloric Acid SCHEMBL8404070 0.97 KCNH2 (0.80) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL4224568 0.92 HRH3 (0.93) HRH3KCNH2KDM4EKMT2AALDH1A1
SCHEMBL4096430 0.89 HRH3 (1.00) HRH3KCNH2KDM4EALDH1A1LMNA
SCHEMBL4441360 0.88 SMN1; SMN2 (0.73) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL9199244 0.88 KCNH2 (0.63) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL17758913 0.86 HRH3 (0.72) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL4441264 0.86 HRH3 (0.61) HRH3KCNH2KDM4EPSMB1PSMB5
SCHEMBL2229668 0.86 KDM4E (0.90) HRH3KCNH2KDM4EPSMB1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047297-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-18 US disclosed
US-20210047297-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-18 US disclosed
EP-3774769-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS Bayer Pharma Aktiengesellschaft (DE) 2021-02-17 EP disclosed
WO-2019185525-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 WO disclosed
WO-2019185525-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-03 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 (1 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-20210047297-A1 4-(3-AMINO-6-FLUORO-1H-INDAZOL-5-YL)-1,2,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3,5-DIC ARBONITRILE COMPOUNDS FOR TREATING HYPERPROLIFERATIVE DISORDERS PKD1, CDKN1A, VHL HRH3 144/4885KCNH2 1193/4885KDM4E 1098/4885

“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.