SCHEMBL22190928

SCHEMBL22190928

c1ccc(CNc2ncc(-c3ccc4[nH]ccc4c3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.55
▸ MAP3K11 Q16584 4/20 0.53
▸ PIK3CD O00329 1/20 0.47
▸ VCP P55072 1/20 0.47
▸ ROCK1 Q13464 2/20 0.46
▸ PKN2 Q16513 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ MKNK2 Q9HBH9 2/20 0.46
▸ STK17A Q9UEE5 2/20 0.46
▸ AXL P30530 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ FES P07332 1/20 0.46
▸ RET P07949 1/20 0.46
▸ ROS1 P08922 1/20 0.46
▸ FER P16591 1/20 0.46
▸ FLT1 P17948 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
SCHEMBL22191705 0.90 BACE1 (0.54) NPC1MAP3K11PIK3CDVCPROCK1
SCHEMBL22191183 0.87 CNR2 (0.50) NPC1MAP3K11PIK3CDCDK1KDR
SCHEMBL24137561 0.82 ROCK2 (0.63) PIK3CDROCK1PKN2AURKBMKNK2
SCHEMBL30596233 0.81 PKM (0.52) ROCK1PKN2AURKBMKNK2STK17A
SCHEMBL24137535 0.81 PKM (0.52) ROCK1PKN2AURKBMKNK2STK17A
SCHEMBL22191001 0.79 QPCT (0.50) ROCK1PKN2AURKBMKNK2STK17A
SCHEMBL22191095 0.77 PLK4 (0.50) AURKBMKNK2STK17AMAP4K4CDK1
SCHEMBL22191246 0.77 CNR2 (0.50) CDK1KDRCYP2D6RPS6KB1BACE1
SCHEMBL24137529 0.76 FGFR1 (0.60) ROCK1PKN2AURKBMKNK2STK17A
SCHEMBL24137534 0.75 JAK2 (0.61) ROCK1PKN2AURKBMKNK2STK17A

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 NPC1 2565/4885MAP3K11 32/4885PIK3CD 358/4885

“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