SCHEMBL5923230

SCHEMBL5923230

CCc1cccc(NC(=N)Nc2nccc(C)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SIGMAR1 Q99720 7/20 0.44
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HDAC3 O15379 1/20 0.40

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
SCHEMBL5923080 0.88 RAB9A (0.48) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL14861785 0.87 GAA (0.46) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL5923526 0.82 MAPK1 (0.57) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL2803590 0.81 RAB9A (0.49) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL6419683 0.81 SIGMAR1 (0.55) SMN1; SMN2NPC1RAB9AKMT2ASIGMAR1
SCHEMBL5923480 0.78 RAB9A (0.58) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL6720806 0.77 RAPGEF4 (0.50) SMN1; SMN2NPC1RAB9APOLBSIGMAR1
SCHEMBL6720946 0.77 RAPGEF4 (0.50) SMN1; SMN2NPC1RAB9APOLBSIGMAR1
SCHEMBL5923599 0.74 ALDH1A1 (0.49) SMN1; SMN2NPC1RAB9APOLBKMT2A
SCHEMBL5923549 0.74 SPHK1 (0.47) RAB9AKMT2AMAPTMAPK1LMNA

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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — US claimed
US-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-05-11 — — 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-20060100225-A1 Heteroaryl guanidines; inhibitors of viral replication PIGS, GUCY1A1, GUCY1B1 SMN1; SMN2 1226/4885NPC1 82/4885RAB9A 410/4885

“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.

Send feedback