SCHEMBL298301

SCHEMBL298301

CNC(=O)c1cnc2[nH]ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 6/20 0.68
CDK7 P50613 2/20 0.52
MAP4K4 O95819 2/20 0.52
CHEK2 O96017 2/20 0.52
CDK1 P06493 2/20 0.52
FES P07332 2/20 0.52
ROS1 P08922 2/20 0.52
FER P16591 2/20 0.52
FLT4 P35916 2/20 0.52
KDR P35968 2/20 0.52
IRAK1 P51617 2/20 0.52
ROCK1 Q13464 2/20 0.52
PKN2 Q16513 2/20 0.52
MARK2 Q7KZI7 2/20 0.52
MINK1 Q8N4C8 2/20 0.52
AURKB Q96GD4 2/20 0.52
SLK Q9H2G2 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52
STK17A Q9UEE5 2/20 0.52
MAP4K5 Q9Y4K4 2/20 0.52

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
SCHEMBL13808678 0.84 RIPK1 (0.55) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL12410716 0.83 CDK8 (0.67) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL27677303 0.83 NAMPT (0.57) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL18129803 0.83 CDK8 (0.52) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL27732330 0.83 RIPK1 (0.56) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL29004632 0.82 CDK8 (1.00) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL298264 0.81 RIPK1 (0.55) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL415994 0.81 CDK8 (0.68) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL4117054 0.80 RIPK1 (0.70) CDK8CDK7MAP4K4CHEK2CDK1
SCHEMBL29378344 0.80 RIPK1 (0.70) CDK8CDK7MAP4K4CHEK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116920-A1 NOVEL JAK-SPECIFIC INHIBITOR COMPOUND AND METHOD FOR PREPARING SAME KOREA PHARMA CO., LTD. (KR) 2024-04-11 US disclosed
US-20220220109-A1 JAK INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KOREA PHARMA CO., LTD. (KR) 2022-07-14 US disclosed
CN-111518096-B Janus kinase JAK family inhibitor and preparation and application thereof 江苏威凯尔医药科技有限公司 2022-02-11 CN disclosed
WO-2020242204-A1 JAK INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사한국파마 2020-12-03 WO disclosed
EP-2496086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2012-09-12 EP disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
EP-2427433-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS Plexxikon, Inc. (US) 2012-03-14 EP disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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 (3 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF CDK8 271/4885CDK7 300/4885MAP4K4 11/4885
US-20220220109-A1 JAK INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME JAK1, JAK2, JAK3 CDK8 532/4885CDK7 422/4885MAP4K4 163/4885
US-20240116920-A1 NOVEL JAK-SPECIFIC INHIBITOR COMPOUND AND METHOD FOR PREPARING SAME JAK1, JAK2, JAK3 CDK8 243/4885CDK7 328/4885MAP4K4 132/4885

“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.