SCHEMBL21066534

SCHEMBL21066534

CN(C)CCNCc1ccc(F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
TERT O14746 2/20 0.42
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAP4K4 O95819 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
VSIR Q9H7M9 1/20 0.38
ITGB2 P05107 1/20 0.38
ICAM1 P05362 1/20 0.38
ITGAL P20701 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL4409223 0.86 HTT (0.41) SMN1; SMN2CARM1PRMT6HDAC1HDAC3
SCHEMBL8235398 0.83 CARM1 (0.47) CARM1PRMT6HDAC1HDAC3HDAC2
SCHEMBL10054980 0.81 SIGMAR1 (0.50) SMN1; SMN2SIGMAR1TERTHDAC1CYP2C19
SCHEMBL16268751 0.80 CHRM2 (0.58) TAAR1
SCHEMBL16269649 0.78 TAAR1 (0.62) SMN1; SMN2TERTMAP4K4TAAR1VSIR
SCHEMBL14293669 0.77 HDAC3 (0.47) CARM1PRMT6HDAC1HDAC3HDAC2
SCHEMBL18434706 0.77 CYP2C9 (0.63) SMN1; SMN2SIGMAR1TERTHDAC1CYP2C19
SCHEMBL2854317 0.77 SMN1; SMN2 (0.46) SMN1; SMN2CARM1PRMT6HDAC1HDAC3
SCHEMBL10535689 0.77 CHRM2 (0.58) SMN1; SMN2SIGMAR1ITGB2ICAM1ITGAL
SCHEMBL13966247 0.76 CARM1 (0.40) CARM1PRMT6HDAC1HDAC3HDAC2

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
EP-4257192-A2 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2023-10-11 EP disclosed
EP-3505513-B1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS IND TECH RES INST (TW) 2023-09-27 EP disclosed
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-06-30 US disclosed
EP-3505513-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATEMTN OF OPHTHALMIC DISORDERS Industrial Technology Research Institute (TW) 2019-07-03 EP disclosed
US-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-06-27 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 (2 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-20190194137-A1 COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRK4, NCOA4, GRK3 SMN1; SMN2 3991/4885SIGMAR1 413/4885TERT 3567/4885
US-10696638-B2 Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same GRK4, NCOA4, GRK3 SMN1; SMN2 3991/4885SIGMAR1 413/4885TERT 3567/4885

“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.