SCHEMBL5923148

SCHEMBL5923148

COc1cc(C)nc(NC(=N)Nc2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ VSIR Q9H7M9 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MGLL Q99685 1/20 0.40
▸ PLCG1 P19174 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL5923213 0.93 VSIR (0.50) VSIRADORA3KMT2AMEN1POLB
SCHEMBL5923240 0.90 SMN1; SMN2 (0.50) HTTVSIRTSHRSMN1; SMN2RAB9A
SCHEMBL5923163 0.89 RAB9A (0.52) SMN1; SMN2ADORA3RAB9AKMT2AMEN1
SCHEMBL5923153 0.86 HTT (0.46) HTTTSHRSMN1; SMN2RAB9AKMT2A
SCHEMBL5923031 0.85 HTT (0.54) HTTVSIRTSHRSMN1; SMN2RAB9A
SCHEMBL5922970 0.82 RAB9A (0.45) HTTTSHRSMN1; SMN2RAB9AKMT2A
SCHEMBL5923131 0.82 MAPT (0.46) HTTVSIRTSHRSMN1; SMN2RAB9A
SCHEMBL5923220 0.82 MAPK1 (0.54) HTTTSHRSMN1; SMN2RAB9AKMT2A
SCHEMBL5923234 0.81 SMN1; SMN2 (0.48) HTTTSHRSMN1; SMN2RAB9AKMT2A
SCHEMBL5923663 0.79 HTT (0.58) HTTTSHRSMN1; SMN2RAB9AKMT2A

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 HTT 1227/4885VSIR 2810/4885TSHR 1803/4885

“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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