SCHEMBL5923336

SCHEMBL5923336

Cc1ccnc(NC(=N)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ SCN9A Q15858 2/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ SCN5A Q14524 1/20 0.48
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ PKM P14618 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 3/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SORT1 Q99523 1/20 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
SCHEMBL5923267 0.89 SMN1; SMN2 (0.54) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL5923085 0.82 CYP1A2 (0.55) KDM4ENPC1RAB9AKMT2AMEN1
SCHEMBL5923264 0.79 CYP1A2 (0.52) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL5922942 0.78 ALDH1A1 (0.50) TP53NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5923337 0.78 SCN9A (0.51) KDM4ESCN9AKCNH2SCN5ANPC1
SCHEMBL5923009 0.76 SMN1; SMN2 (0.49) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL5923379 0.76 GBA1 (0.60) TP53SCN9ANPC1RAB9AKMT2A
SCHEMBL5923286 0.75 ALDH1A1 (0.47) KDM4ESCN9AKCNH2RAB9AKMT2A
SCHEMBL5923423 0.72 RAB9A (0.49) TP53KDM4ENPC1RAB9AKMT2A
SCHEMBL5923212 0.72 ALDH1A1 (0.49) TP53KDM4ENPC1RAB9AKMT2A

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 TP53 2375/4885KDM4E 1667/4885PRMT5 593/4885

“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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