SCHEMBL2803592

SCHEMBL2803592

Cc1ccnc(NC(N)=Nc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
GRIN2D O15399 3/20 0.51
GRIN3B O60391 3/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2A Q12879 3/20 0.51
GRIN2B Q13224 3/20 0.51
GRIN2C Q14957 3/20 0.51
GRIN3A Q8TCU5 3/20 0.51
SIGMAR1 Q99720 3/20 0.51
LMNA P02545 2/20 0.51
CYP2D6 P10635 1/20 0.51
SLC6A2 P23975 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NOS1 P29475 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL10498925 0.84 LMNA (0.61) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10498921 0.84 LMNA (0.61) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4093098 0.79 LMNA (0.52) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9395373 0.78 KDR (0.57) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6509226 0.78 NOS3 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9395523 0.77 SIGMAR1 (0.46) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10795707 0.75 NPC1 (0.45) KMT2ALMNATDP1SMN1; SMN2NPC1
SCHEMBL6507406 0.73 RAB9A (0.52) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15881328 0.73 L3MBTL1 (0.55) KMT2ALMNATDP1SMN1; SMN2NPC1
SCHEMBL360533 0.72 KMT2A (0.50) KMT2ATDP1SMN1; SMN2NPC1RAB9A

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E KMT2A 4384/4885GRIN2D 421/4885GRIN3B 141/4885

“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.