SCHEMBL5923509

SCHEMBL5923509

Cc1cc(C)nc(NC(=N)Nc2ccc(Br)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 3/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ GBA1 P04062 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 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
SCHEMBL5923368 0.87 CRHBP (0.50) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL13856226 0.85 SMN1; SMN2 (0.50) MAPTRAB9AKMT2ACYP3A4
SCHEMBL4099597 0.84 LMNA (0.49) RAB9APOLBGBA1CYP1A2CYP3A4
SCHEMBL5923128 0.81 RAB9A (0.44) MAPTRAB9AKMT2AMEN1HTT
SCHEMBL5922959 0.81 RAB9A (0.55) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL5923283 0.81 MAPT (0.58) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL12588538 0.81 MAPK1 (0.55) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL12588560 0.81 RAB9A (0.60) RAB9AKMT2AMEN1TP53
SCHEMBL4108640 0.80 RAB9A (0.64) GAAMAPTRAB9AKMT2AMEN1
SCHEMBL5923278 0.79 ALDH1A1 (0.49) GAAMAPTRAB9AKMT2AMEN1

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 1 patent. 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 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 GAA 83/4885MAPT 2982/4885RAB9A 410/4885

“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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