SCHEMBL5923240

SCHEMBL5923240

COc1cc(C)nc(NC(=N)Nc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ VSIR Q9H7M9 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL5923131 0.92 MAPT (0.46) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923148 0.90 HTT (0.48) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5922959 0.88 RAB9A (0.55) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923234 0.88 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923663 0.83 HTT (0.58) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923213 0.82 VSIR (0.50) KMT2AMAPTMEN1TP53GLA
SCHEMBL5923153 0.81 HTT (0.46) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923031 0.80 HTT (0.54) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923192 0.80 TSHR (0.47) SMN1; SMN2TSHRHTTKMT2AMAPT
SCHEMBL5923231 0.80 SMN1; SMN2 (0.50) SMN1; SMN2HTTKMT2AMAPTMEN1

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 SMN1; SMN2 1226/4885TSHR 1803/4885HTT 1227/4885

“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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