SCHEMBL4199232

SCHEMBL4199232

Nc1nc(N[C@@H]2CCCc3ccccc32)nc2cccc(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
KCNN3 Q9UGI6 1/20 0.41
DHFR P00374 1/20 0.40
PFKFB3 Q16875 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLP1R P43220 1/20 0.38
P2RX7 Q99572 2/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL4192339 0.85 GLP1R (0.42) APPHDAC6KCNN3DHFRPFKFB3
SCHEMBL4196880 0.79 HDAC6 (0.51) HDAC6KCNN3DHFRPFKFB3LMNA
SCHEMBL21541996 0.73 APP (0.46) APPDHFRALDH1A1
SCHEMBL3642615 0.71 APP (0.57) APPSMN1; SMN2
SCHEMBL1154650 0.70 DHFR (0.57) DHFR
SCHEMBL6252449 0.67 KDM4E (0.60) LMNAALDH1A1SMN1; SMN2DHODH
SCHEMBL15286477 0.67 LMNA (0.55) HDAC6KCNN3PFKFB3LMNAALDH1A1
SCHEMBL22872850 0.66 GLP1R (0.49) HDAC6KCNN3PFKFB3LMNAALDH1A1
SCHEMBL21524773 0.65 PFKFB3 (0.52) HDAC6KCNN3DHFRPFKFB3LMNA
SCHEMBL1976205 0.65 PFKFB3 (0.57) HDAC6KCNN3PFKFB3LMNA

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 APP 1184/4885HDAC6 1504/4885KCNN3 2/4885

“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.