SCHEMBL22375107

SCHEMBL22375107

Oc1ccc(NCn2nnc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 1.00
▸ CYP2C9 P11712 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SLC9A1 P19634 5/20 0.51
▸ KCNMA1 Q12791 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GRM2 Q14416 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 3/20 0.47
▸ MGAM O43451 2/20 0.47
▸ AMY1A P0DUB6 2/20 0.47
▸ SI P14410 2/20 0.47

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
SCHEMBL9618157 0.92 RPS6KA3 (0.84) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL2494163 0.87 RPS6KA3 (0.77) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL3342201 0.84 RPS6KA3 (0.73) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL2490946 0.84 RPS6KA3 (0.73) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL7813053 0.82 RPS6KA3 (0.70) RPS6KA3ALDH1A1POLBRAB9ANPC1
SCHEMBL31267895 0.81 RPS6KA3 (0.68) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL2491190 0.81 RPS6KA3 (0.68) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL5550585 0.78 RPS6KA3 (0.64) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL3403852 0.78 SLC9A1 (0.63) RPS6KA3CYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL16398499 0.78 GRM2 (0.75) RPS6KA3SLC9A1KCNMA1RAB9ANPC1

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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 — — US disclosed
CN-102688233-B Benzotriazole Derivative is as the synthesis of RSK2 inhibitor and application EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-02-17 — — CN disclosed
CN-102688233-A Synthesis of benzotriazol derivative as RSK2 inhibitor and application thereof UNIV EAST CHINA SCIENCE & TECH 2012-09-26 — — CN 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 RPS6KA3 675/4885CYP2C9 4854/4885CYP2C19 4878/4885

“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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