SCHEMBL4404646

SCHEMBL4404646

CC(=O)c1ccc2c(N)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 6/20 0.51
JAK2 O60674 5/20 0.51
ABL1 P00519 8/20 0.51
BCR P11274 8/20 0.51
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA2 P54646 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
JAK1 P23458 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.43
TGFBR1 P36897 1/20 0.43
ROCK1 Q13464 1/20 0.43
AURKB Q96GD4 1/20 0.43
KIF11 P52732 1/20 0.43

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
SCHEMBL4497808 0.87 ABL1 (0.63) PDPK1JAK2ABL1BCRPRKAB2
SCHEMBL4404641 0.86 JAK2 (0.58) PDPK1JAK2JAK1KIF11
SCHEMBL31033009 0.84 CHEK1 (0.53) PDPK1JAK2ABL1BCRJAK1
SCHEMBL922195 0.84 PDPK1 (0.53) PDPK1JAK2ABL1BCRJAK1
Hydrochloric Acid SCHEMBL17205412 0.83 PDPK1 (0.51) PDPK1JAK2ABL1BCRJAK1
SCHEMBL24814135 0.82 ABL1 (0.48) PDPK1JAK2ABL1BCRJAK1
SCHEMBL30159687 0.82 MAP2K4 (0.56) PDPK1JAK2ABL1BCRKDM4E
SCHEMBL4404846 0.82 MAP2K4 (0.56) PDPK1JAK2ABL1BCRKDM4E
SCHEMBL25139495 0.82 ABL1 (0.51) PDPK1JAK2ABL1BCRJAK1
SCHEMBL4137356 0.82 ABL1 (0.48) PDPK1JAK2ABL1BCRJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 PDPK1 112/4885JAK2 487/4885ABL1 345/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI PDPK1 1266/4885JAK2 688/4885ABL1 3244/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 PDPK1 1284/4885JAK2 1215/4885ABL1 3534/4885

“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.