SCHEMBL4199830

SCHEMBL4199830

COc1cc(-c2cc3nc[nH]c(=O)c3s2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
NPC1 O15118 4/20 0.68
PDPK1 O15530 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
KDM4E B2RXH2 2/20 0.68
ALDH1A1 P00352 2/20 0.68
HPGD P15428 2/20 0.68
POLB P06746 2/20 0.58
MAPT P10636 2/20 0.57
IDO1 P14902 2/20 0.46
PDGFRB P09619 1/20 0.44
KIT P10721 1/20 0.44
KDR P35968 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
STK17B O94768 1/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
PPARG P37231 1/20 0.42

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
SCHEMBL15703311 0.81 NPC1 (1.00) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4207684 0.79 RAB9A (0.74) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL17268781 0.77 RAB9A (0.74) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4209817 0.76 RAB9A (0.77) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4208731 0.75 PDPK1 (0.56) PDPK1IDO1PDGFRBKITKDR
SCHEMBL4208111 0.74 RAB9A (0.74) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4213116 0.74 PDPK1 (1.00) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4726461 0.74 RAB9A (0.78) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL3936506 0.74 RAB9A (1.00) RAB9ANPC1PDPK1SMN1; SMN2KDM4E
SCHEMBL4219771 0.72 RAB9A (0.66) RAB9ANPC1PDPK1SMN1; SMN2KDM4E

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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 US claimed
US-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS ABBOTT LABORATORIES (US) 2009-01-29 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-20090030196-A1 PIM KINASE INHIBITORS AS CANCER CHEMOTHERAPEUTICS PIM1, PIM3, PIM2 RAB9A 3461/4885NPC1 2497/4885PDPK1 13/4885

“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.