SCHEMBL5923048

SCHEMBL5923048

Cc1ccnc(NC(=N)Nc2ccc(Br)c3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.46
▸ KMT2A Q03164 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ EPHX1 P07099 2/20 0.40
▸ NPC1 O15118 5/20 0.37
▸ RAB9A P51151 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ BCHE P06276 1/20 0.34

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 0.86 RXFP1 (0.49) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5923367 0.80 ALDH1A1 (0.48) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5923350 0.79 HTT (0.43) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5922980 0.78 RXFP1 (0.46) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5923331 0.78 RAB9A (0.48) RXFP1KMT2AMAPTKDM4EMEN1
SCHEMBL2803590 0.76 RAB9A (0.49) KMT2ANPSR1MAPTMEN1ALDH1A1
SCHEMBL5923436 0.75 RXFP1 (0.46) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5923330 0.75 RXFP1 (0.46) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL14861709 0.73 ALDH1A1 (0.53) RXFP1KMT2ANPSR1MAPTKDM4E
SCHEMBL5923305 0.71 SMN1; SMN2 (0.45) KMT2ANPSR1MAPTMEN1ALDH1A1

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 RXFP1 235/4885KMT2A 3042/4885NPSR1 3577/4885

“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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