SCHEMBL5923213

SCHEMBL5923213

COc1cc(OC)nc(NC(=N)Nc2cccc(-c3ccccc3)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ VSIR Q9H7M9 2/20 0.50
▸ ADORA3 P0DMS8 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ TP53 P04637 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CNR1 P21554 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL5923148 0.93 HTT (0.48) VSIRADORA3KMT2APOLBMEN1
SCHEMBL5923131 0.89 MAPT (0.46) VSIRKMT2AMEN1MAPTTP53
SCHEMBL5923099 0.85 MITF (0.47) VSIRKMT2APOLBMEN1MAPT
SCHEMBL5923340 0.84 MAPT (0.44) VSIRKMT2APOLBMAPTTP53
SCHEMBL5923163 0.82 RAB9A (0.52) ADORA3KMT2APOLBMEN1MAPT
SCHEMBL5923240 0.82 SMN1; SMN2 (0.50) VSIRKMT2AMEN1MAPTTP53
SCHEMBL5923172 0.80 MAPK1 (0.50) KMT2AMEN1
SCHEMBL4979855 0.80 MGLL (0.66) ADORA3POLBMGLLCNR1
SCHEMBL5923231 0.79 SMN1; SMN2 (0.50) KMT2APOLBMEN1MAPTTP53
SCHEMBL5923153 0.78 HTT (0.46) KMT2APOLBMEN1MAPTCYP1A2

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 VSIR 2810/4885ADORA3 164/4885KMT2A 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.

Send feedback