SCHEMBL5922992

SCHEMBL5922992

Cc1cc(C)nc(NC(=N)Nc2ccccc2-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.56
▸ TSHR P16473 3/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.44
▸ LMNA P02545 4/20 0.44
▸ NTRK1 P04629 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL9313159 0.81 ALDH1A1 (0.53) TSHRHSD17B10MAPTHTTUSP2
SCHEMBL5922959 0.79 RAB9A (0.55) RAB9ATSHRMAPTHTTALDH1A1
SCHEMBL14862600 0.79 HDAC1 (0.53) RAB9ATSHRMAPTALDH1A1LMNA
SCHEMBL5923511 0.79 SMN1; SMN2 (0.53) RAB9ATSHRMAPTHTTUSP2
SCHEMBL5923062 0.77 ALDH1A1 (0.54) RAB9AHSD17B10MAPTHTTPOLB
SCHEMBL5923163 0.77 RAB9A (0.52) RAB9AMAPTPOLBALDH1A1LMNA
SCHEMBL5923157 0.77 L3MBTL1 (0.48) RAB9ATSHRMAPTHTTPOLB
SCHEMBL5923162 0.77 L3MBTL1 (0.44) RAB9AMAPTHTTPOLBALDH1A1
SCHEMBL5923277 0.77 ALDH1A1 (0.50) MAPTHTTPOLBALDH1A1LMNA
SCHEMBL14862212 0.76 ALDH1A1 (0.71) RAB9ATSHRMAPTHTTPOLB

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 RAB9A 410/4885TSHR 1803/4885HSD17B10 1932/4885

“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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