SCHEMBL5923267

SCHEMBL5923267

Cc1ccnc(NC(=N)Nc2ccc(Oc3ccccc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.54
▸ LMNA P02545 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ TP53 P04637 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ GCK P35557 1/20 0.48
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ HPGD P15428 2/20 0.43
▸ KMT2A Q03164 3/20 0.43

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
SCHEMBL5923264 0.90 CYP1A2 (0.52) SMN1; SMN2LMNAKDM4EHTTTP53
SCHEMBL5923336 0.89 TP53 (0.52) SMN1; SMN2KDM4ETP53NPC1RAB9A
SCHEMBL5923207 0.82 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL5923241 0.81 EPHX2 (0.49) SMN1; SMN2LMNAKDM4EHTTALDH1A1
SCHEMBL5922942 0.79 ALDH1A1 (0.50) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL5923375 0.79 CYP1A2 (0.51) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL4979481 0.78 HPGD (0.59) SMN1; SMN2LMNAHTTTP53ALDH1A1
SCHEMBL5923310 0.78 RAB9A (0.52) SMN1; SMN2LMNAKDM4EHTTTP53
SCHEMBL5923009 0.77 SMN1; SMN2 (0.49) SMN1; SMN2LMNAKDM4ETP53ALDH1A1
SCHEMBL5923222 0.77 NPSR1 (0.49) SMN1; SMN2LMNAHTTALDH1A1NPC1

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 1226/4885LMNA 620/4885KDM4E 1667/4885

“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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