SCHEMBL5923009

SCHEMBL5923009

CCc1ccc(NC(=N)Nc2cc(C)ccn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ GBA1 P04062 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK10 P53779 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ GSK3A P49840 1/20 0.44
▸ HIPK1 Q86Z02 1/20 0.44
▸ RIOK2 Q9BVS4 1/20 0.44
▸ SNRK Q9NRH2 1/20 0.44

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
SCHEMBL5923438 0.86 KDM4E (0.56) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL4115898 0.83 RAB9A (0.71) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5923423 0.82 RAB9A (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5922942 0.80 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL6155127 0.78 SRC (0.53) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5923267 0.77 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5923336 0.76 TP53 (0.52) SMN1; SMN2RAB9ANPC1KMT2ATP53
SCHEMBL5923212 0.76 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5923619 0.76 KMT2A (0.54) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL5923218 0.74 KDM4E (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A

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 1226/4885RAB9A 410/4885NPC1 82/4885

“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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