SCHEMBL22191259

SCHEMBL22191259

COc1cccc(Nc2ncc(-c3ccc4[nH]c(=O)[nH]c4c3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 5/20 0.50
▸ CYP1A2 P05177 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CASP1 P29466 2/20 0.48
▸ CASP7 P55210 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SYK P43405 1/20 0.47
▸ PIK3CG P48736 3/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ PTK6 Q13882 1/20 0.46
▸ GRM4 Q14833 1/20 0.46
▸ GRIA1 P42261 1/20 0.46

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
SCHEMBL22191405 0.87 HDAC3 (0.47) MEN1KMT2AALDH1A1SYKPTK6
SCHEMBL22191365 0.83 GRM5 (0.45) MEN1KMT2ACLK4MAPK1SYK
SCHEMBL22191683 0.83 GAA (0.49) KMT2APOLBEGFR
SCHEMBL22191685 0.83 RET (0.51) USP2CYP1A2MEN1KMT2ACLK4
SCHEMBL22191468 0.82 HDAC3 (0.49) SYKERBB2PTK6GRM4GRIA1
SCHEMBL22191136 0.81 MAPT (0.51) KMT2ACLK4LMNAALDH1A1SYK
SCHEMBL5788217 0.79 ALDH1A1 (0.56) LMNAALDH1A1GRIA1CACNG8
SCHEMBL22190851 0.78 MAPT (0.48) ALDH1A1GRIA1CACNG8
SCHEMBL22191100 0.77 VNN1 (0.51) MEN1KMT2ACLK4MAPK1ALDH1A1
SCHEMBL22191381 0.76 GAA (0.47) MEN1KMT2AALDH1A1GRIA1CACNG8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — WO 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 USP2 3279/4885CYP1A2 4688/4885MEN1 1767/4885

“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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