SCHEMBL5923055

SCHEMBL5923055

Cc1cc(C)nc(NC(=N)Nc2cccc(Oc3ccccc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ MITF O75030 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ LMNA P02545 5/20 0.47
▸ HPGD P15428 1/20 0.47
▸ IDH1 O75874 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.42
▸ PLA2G1B P04054 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ATG4B Q9Y4P1 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
SCHEMBL5923153 0.91 HTT (0.46) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923253 0.89 RAB9A (0.51) RAB9AALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL5923480 0.88 RAB9A (0.58) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923099 0.85 MITF (0.47) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923406 0.84 MEN1 (0.48) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923453 0.84 MAPK1 (0.63) RAB9AMAPK1ALDH1A1POLBMEN1
SCHEMBL5922996 0.84 MAPT (0.57) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923312 0.83 MEN1 (0.58) RAB9AMAPK1ALDH1A1HTTMITF
SCHEMBL5923163 0.82 RAB9A (0.52) RAB9AALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5923408 0.82 MAPK1 (0.50) RAB9AMAPK1ALDH1A1NPC1SIRT2

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 410/4885MAPK1 2055/4885ALDH1A1 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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