SCHEMBL13011656

SCHEMBL13011656

NC(N)=NC(=O)c1ccc2c3ccccc3n(Cc3ccncc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.53
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HDAC6 Q9UBN7 6/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ NPY5R Q15761 5/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC3 O15379 2/20 0.45
▸ HTR2B P41595 2/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ CYP19A1 P11511 1/20 0.41
▸ HIF1A Q16665 1/20 0.41

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
SCHEMBL3767125 0.91 CYP19A1 (0.53) CNR2MAPTMAPK1HDAC6HDAC1
SCHEMBL13011637 0.88 CNR2 (0.56) CNR2MAPTMAPK1L3MBTL1HDAC6
SCHEMBL13011683 0.86 P2RX4 (0.52) MAPTMAPK1L3MBTL1HDAC6HDAC1
SCHEMBL13062047 0.84 P2RX4 (0.55) CNR2MAPK1HDAC6HDAC1HDAC10
SCHEMBL13011636 0.83 CNR2 (0.54) CNR2HTR2BHTR7
SCHEMBL13011744 0.82 HTR2B (0.43) CNR2HDAC6HDAC1HDAC10HDAC2
SCHEMBL13011698 0.82 HDAC6 (0.44) MAPK1HDAC6HDAC1HDAC10HDAC2
SCHEMBL13061912 0.81 KDM4E (0.44) CNR2MAPTHDAC6HDAC1HDAC10
SCHEMBL3777210 0.81 HTR2B (0.46) MAPTHDAC6HDAC1HDAC10HTR2B
SCHEMBL13061918 0.81 TP53 (0.47) MAPTHTR2B

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E CNR2 681/4885MAPT 348/4885MAPK1 3041/4885

“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.

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