SCHEMBL5923391

SCHEMBL5923391

Cc1cc(C)nc(NC(=N)Nc2ccc3c(c2)CCC3)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 13/20 0.49
RAB9A P51151 13/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
TP53 P04637 4/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 3/20 0.49
ALDH1A1 P00352 2/20 0.47
PLAU P00749 1/20 0.44
PKM P14618 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 2/20 0.43
STAT1 P42224 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL4985077 0.83 NPC1 (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL5459716 0.82 NPC1 (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4982643 0.80 NPC1 (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5923125 0.79 CYP1A2 (0.54) MEN1KMT2ANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL5456817 0.78 NPC1 (0.51) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5923368 0.77 CRHBP (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13856226 0.76 SMN1; SMN2 (0.50) RXFP1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18037991 0.76 KMT2A (0.62) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5923308 0.75 RAB9A (0.48) USP2MEN1KMT2ANPC1RAB9A
SCHEMBL4099597 0.75 LMNA (0.49) NPC1RAB9APOLB

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 3 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
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO 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 USP2 4061/4885RXFP1 235/4885MEN1 4111/4885

“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.