SCHEMBL2821633

SCHEMBL2821633

CCCCc1cnc(C(C)C)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
CDK2 P24941 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK5 Q00535 1/20 0.36
SRC P12931 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SLC5A2 P31639 1/20 0.31
MAPK10 P53779 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL15000516 0.93 FDPS (0.41) FDPSCDK2CCNE1CDK5SRC
SCHEMBL25693905 0.93 FDPS (0.41) FDPSCDK2CCNE1CDK5SRC
SCHEMBL13534013 0.89 FDPS (0.44) FDPSCDK2
SCHEMBL2753989 0.80 FDPS (0.41) FDPSCDK2CCNE1CDK5SMN1; SMN2
SCHEMBL25715689 0.79 FDPS (0.30) FDPS
SCHEMBL6220575 0.77 FDPS (0.60) FDPSCDK2CCNE1CDK5SRC
SCHEMBL20903971 0.76
SCHEMBL27830325 0.76
SCHEMBL21240039 0.76 FDPS (0.37) FDPSCDK2CCNE1CDK5SRC
SCHEMBL21240903 0.75 FDPS (0.36) FDPSCDK2CCNE1CDK5SRC

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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF FDPS 2515/4885CDK2 227/4885CCNE1 1296/4885
US-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 FDPS 1669/4885CDK2 2073/4885CCNE1 3326/4885

“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.