SCHEMBL4196880

SCHEMBL4196880

Nc1nc(N[C@@H]2CCCc3ccccc32)nc2cccc(C3CCCc4ccccc43)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.51
KCNN3 Q9UGI6 1/20 0.51
LMNA P02545 1/20 0.44
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
ADRA1A P35348 2/20 0.42
DHFR P00374 1/20 0.41
GBA1 P04062 1/20 0.41
PFKFB3 Q16875 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GLP1R P43220 1/20 0.39

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
SCHEMBL4199232 0.79 APP (0.42) HDAC6KCNN3LMNADHFRPFKFB3
SCHEMBL21524773 0.72 PFKFB3 (0.52) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL1976205 0.72 PFKFB3 (0.57) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL1551936 0.70 LMNA (0.51) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL1552289 0.70 LMNA (0.51) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL3205734 0.70 LMNA (0.51) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL22872827 0.70 HDAC6 (0.52) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL21193652 0.70 HTT (0.48) HDAC6KCNN3LMNA
SCHEMBL2570647 0.70 HDAC6 (0.46) HDAC6KCNN3LMNAADRA2AADRA2B
SCHEMBL2581385 0.70 IGF1R (0.46) HDAC6KCNN3LMNAADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048278-A1 Novel Quinazoline-2,4-Diamine Derivatives and Their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-02-19 US claimed
US-20090048278-A1 Novel Quinazoline-2,4-Diamine Derivatives and Their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-02-19 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 (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-20090048278-A1 Novel Quinazoline-2,4-Diamine Derivatives and Their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN3, KCNN1 HDAC6 1504/4885KCNN3 2/4885LMNA 3348/4885

“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.