SCHEMBL4207689

SCHEMBL4207689

O=c1[nH]cnc2cc(-c3cccnc3)sc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.74
NPC1 O15118 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MAPT P10636 2/20 0.74
PDPK1 O15530 4/20 0.63
POLB P06746 1/20 0.63
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
QPCT Q16769 1/20 0.49
QPCTL Q9NXS2 1/20 0.49
LMNA P02545 1/20 0.45
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
GAA P10253 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL4726461 0.85 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL3936506 0.85 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4209817 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4208313 0.80 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL29557027 0.77 PDPK1 (0.59) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL17268781 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4208111 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4213116 0.77 PDPK1 (1.00) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL4207684 0.77 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPDPK1
SCHEMBL5641135 0.76 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTPDPK1

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 2497/4885SMN1; SMN2 4532/4885

“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.