SCHEMBL4572243

SCHEMBL4572243

CC(C)c1cccc2c1ncn2C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.38
CASR P41180 2/20 0.36
DAO P14920 1/20 0.36
PI4KA P42356 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
FAAH O00519 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL4072933 0.77 PI4KA (0.39) HCAR1PI4KAPI4K2BPI4K2API4KB
SCHEMBL15082656 0.77 DDB1 (0.40) CASRDAOLMNATSHRHPGD
SCHEMBL12120873 0.76 SMN1; SMN2 (0.41) CASRDAOPI4KAPI4K2BPI4K2A
SCHEMBL14879309 0.76 TSHR (0.36) HCAR1CASRDAOLMNATSHR
SCHEMBL22901677 0.76 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBLMNA
SCHEMBL4569748 0.76 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBTSHR
SCHEMBL29538937 0.76 PI4KA (0.38) HCAR1PI4KAPI4K2BPI4K2API4KB
SCHEMBL4572240 0.70 CASR (0.36) CASRDAOLMNATSHRHPGD
SCHEMBL21349114 0.68 HTR2C (0.41) CASRTSHRHPGDHTR2CALOX15
SCHEMBL2614317 0.67 NPC1 (0.49) HPGDNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-08-10 US disclosed
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 US 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 (2 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-20230250089-A1 MAP4K3 SMALL MOLECULE DRUG INHIBITORS AND METHODS OF USE THEREOF MAP4K3, MAP3K4, MAP3K3 HCAR1 3780/4885CASR 3326/4885DAO 4289/4885
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 HCAR1 428/4885CASR 1110/4885DAO 1951/4885

“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.