SCHEMBL13199896

SCHEMBL13199896

CN1CCN(c2nc3nc(Cl)[nH]c(=O)c3n2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HRH4 Q9H3N8 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR3A P46098 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL13199898 0.73 KMT2A (0.40) KMT2AHRH4SMN1; SMN2HTR3A
SCHEMBL9586238 0.71 ADORA2A (0.33) ALDH1A1NPSR1
SCHEMBL13217693 0.71 PIM1 (0.50) POLBKMT2AMEN1
SCHEMBL13199895 0.68 ALDH1A1 (0.47) POLBALDH1A1NPSR1KMT2AMEN1
SCHEMBL3425451 0.67 PDE2A (0.31)
SCHEMBL13200224 0.67 DPP4 (0.56) POLB
SCHEMBL1865936 0.66 ADORA1 (0.40) KMT2AMEN1HPGDTSHR
SCHEMBL13199922 0.66 POLB (0.50) POLBALDH1A1NPSR1KMT2AMEN1
SCHEMBL13199965 0.66 HRH4 (0.41) POLBALDH1A1NPSR1KMT2AMEN1
SCHEMBL13199971 0.65 ALDH1A1 (0.39) POLBALDH1A1NPSR1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 POLB 3455/4885ALDH1A1 1186/4885NPSR1 378/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 POLB 3135/4885ALDH1A1 686/4885NPSR1 1861/4885

“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.