SCHEMBL3784641

SCHEMBL3784641

CC(C)(C)n1ncc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.55
TP53 P04637 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 4/20 0.51
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 3/20 0.46
PKM P14618 1/20 0.46
RET P07949 1/20 0.46
KDR P35968 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 5/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 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
SCHEMBL14438659 0.84 MAPT (0.62) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13020192 0.81 SIGMAR1 (0.58) MAPK14ABL1BCRSIGMAR1ALDH1A1
SCHEMBL21695049 0.81 BRD4 (0.46) TP53NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28393556 0.80 MAPT (0.65) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL13020193 0.79 MAPK14 (0.50) MAPK14ABL1BCRSIGMAR1ALDH1A1
SCHEMBL13020230 0.76 VCP (0.53) ABL1POLBPKMRETKDR
SCHEMBL3778676 0.76 CCR4 (0.49) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL5066872 0.75 VCP (0.73) MAPK14SMN1; SMN2LMNAABL1POLB
SCHEMBL28888396 0.75 LMNA (0.64) MAPK14TP53NPC1RAB9ASMN1; SMN2
SCHEMBL14438661 0.74 BRD4 (0.47) ABL1BCRRETKDRCYP3A4

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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 (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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B MAPK14 1189/4885TP53 3024/4885NPC1 9/4885

“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.