SCHEMBL4778294

SCHEMBL4778294

Cc1nc2c(C(=O)NCCNC(=O)c3cccnc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 11/20 0.50
TP53 P04637 10/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
NAMPT P43490 1/20 0.45
GPR52 Q9Y2T5 1/20 0.44

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
SCHEMBL4775836 0.88 ALDH1A1 (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781192 0.87 KDM4E (0.57) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4797074 0.86 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781351 0.86 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4779622 0.85 KDM4E (0.55) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4725438 0.84 LMNA (0.55) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781547 0.83 KDM4E (0.64) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4777382 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4794039 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL4781826 0.76 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080221129-A1 New compounds SCD, SCD5, FASN KDM4E 3813/4885ALDH1A1 858/4885HPGD 279/4885

“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.