SCHEMBL5923222

SCHEMBL5923222

Cc1ccnc(NC(=N)Nc2ccc(Oc3ccccc3)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ PLA2G1B P04054 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ ATG4B Q9Y4P1 1/20 0.49
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HPGD P15428 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ SCN5A Q14524 1/20 0.43
▸ SCN9A Q15858 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
SCHEMBL5923480 0.89 RAB9A (0.58) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5923337 0.89 SCN9A (0.51) POLBMEN1KMT2ALMNANPC1
SCHEMBL2803590 0.88 RAB9A (0.49) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5923305 0.85 SMN1; SMN2 (0.45) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5923253 0.85 RAB9A (0.51) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5923299 0.81 EPHX2 (0.46) LMNANPC1RAB9AALDH1A1
SCHEMBL5923234 0.79 SMN1; SMN2 (0.48) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5923110 0.79 S1PR1 (0.46) ALDH1A1MAPTHTTHSD17B10HPGD
SCHEMBL5922903 0.79 KMT2A (0.72) NPSR1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL4979481 0.78 HPGD (0.59) POLBSMN1; SMN2MEN1KMT2ALMNA

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 NPSR1 3577/4885POLB 2292/4885SMN1; SMN2 1226/4885

“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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