SCHEMBL5923337

SCHEMBL5923337

Cc1ccnc(NC(=N)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 11/20 0.51
▸ SCN5A Q14524 6/20 0.51
▸ KCNH2 Q12809 5/20 0.51
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ FASN P49327 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 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
SCHEMBL5923222 0.89 NPSR1 (0.49) SCN9ASCN5AKCNH2POLBNPC1
SCHEMBL5923286 0.86 ALDH1A1 (0.47) SCN9AKCNH2POLBL3MBTL1RAB9A
SCHEMBL5923192 0.80 TSHR (0.47) KCNH2POLBL3MBTL1MEN1KMT2A
SCHEMBL5923379 0.79 GBA1 (0.60) SCN9APOLBNPC1RAB9AMEN1
SCHEMBL2803590 0.78 RAB9A (0.49) POLBL3MBTL1NPC1RAB9AMEN1
SCHEMBL5923480 0.78 RAB9A (0.58) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL5923110 0.78 S1PR1 (0.46) L3MBTL1KDM4EHPGDHTT
SCHEMBL5923336 0.78 TP53 (0.52) SCN9ASCN5AKCNH2POLBNPC1
SCHEMBL4099597 0.77 LMNA (0.49) POLBNPC1RAB9AKDM4ELMNA
SCHEMBL5923305 0.76 SMN1; SMN2 (0.45) POLBNPC1RAB9AMEN1KMT2A

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 SCN9A 2172/4885SCN5A 1712/4885KCNH2 1241/4885

“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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