SCHEMBL13199898

SCHEMBL13199898

CN1CCN(c2nc3nc(Cl)nc(Cl)c3n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 4/20 0.38
HTR3B O95264 2/20 0.36
HTR3A P46098 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALOX15 P16050 1/20 0.34

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
SCHEMBL13199896 0.73 POLB (0.46) KMT2AHRH4HTR3ASMN1; SMN2
SCHEMBL9382074 0.71 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL13199899 0.70 DPP4 (0.32)
SCHEMBL9385930 0.70 PRMT5 (0.42)
SCHEMBL17926590 0.68 CSNK2A2 (0.39)
SCHEMBL13199952 0.68 HRH4 (0.43) KMT2AHRH4HTR3BHTR3AHRH3
SCHEMBL22924659 0.65 KMT2A (0.55) KMT2AHRH4HTR3AHRH3
SCHEMBL12903094 0.65 KMT2A (0.55) KMT2AHRH4HTR3AHRH3
SCHEMBL12696431 0.65 SMN1; SMN2 (0.49) KMT2AHRH4HTR3BHTR3ASMN1; SMN2
SCHEMBL24476497 0.64 HTR1A (0.36) KMT2A

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 KMT2A 2285/4885HRH4 601/4885HTR3B 4524/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 KMT2A 993/4885HRH4 237/4885HTR3B 1213/4885

“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.