SCHEMBL5922980

SCHEMBL5922980

Cc1nc(NC(=N)Nc2ccc(Br)c3ccccc23)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ LMNA P02545 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ EPHX1 P07099 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALOX12 P18054 2/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NUDT1 P36639 1/20 0.37

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
SCHEMBL5923186 0.83 RXFP1 (0.49) RXFP1ALDH1A1KMT2ALMNAMAPT
SCHEMBL27341794 0.80 NPC1 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL19868916 0.78 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5923048 0.78 RXFP1 (0.46) RXFP1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5923436 0.78 RXFP1 (0.46) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL5923350 0.76 HTT (0.43) RXFP1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5923446 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL26173837 0.75 SMN1; SMN2 (0.51) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL5923367 0.74 ALDH1A1 (0.48) RXFP1ALDH1A1KMT2AMAPTMEN1
SCHEMBL2330055 0.74 SMN1; SMN2 (0.54) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT

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
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO claimed

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 RXFP1 235/4885ALDH1A1 535/4885KMT2A 3042/4885

“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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