SCHEMBL5923186

SCHEMBL5923186

Cc1cc(C)nc(NC(=N)Nc2ccc(Br)c3ccccc23)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 2/20 0.49
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EPHX1 P07099 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ NPC1 O15118 2/20 0.36

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
SCHEMBL5923350 0.89 HTT (0.43) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5923048 0.86 RXFP1 (0.46) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5923330 0.83 RXFP1 (0.46) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5922980 0.83 RXFP1 (0.46) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5923436 0.83 RXFP1 (0.46) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5923367 0.80 ALDH1A1 (0.48) RXFP1MAPTALDH1A1MEN1KMT2A
SCHEMBL5923331 0.75 RAB9A (0.48) RXFP1MAPTMEN1KMT2AKDM4E
SCHEMBL5923511 0.74 SMN1; SMN2 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL14862600 0.74 HDAC1 (0.53) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL5923062 0.72 ALDH1A1 (0.54) MAPTALDH1A1KMT2AGAAKDM4E

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 RXFP1 235/4885MAPT 2982/4885ALDH1A1 535/4885

“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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