SCHEMBL16998660

SCHEMBL16998660

Cc1cc(C)nc(SCc2cn3ccccc3n2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.68
NPC1 O15118 11/20 0.68
PKM P14618 4/20 0.66
KDM4E B2RXH2 3/20 0.66
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 10/20 0.63
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
SIRT5 Q9NXA8 1/20 0.60
LMNA P02545 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
PDE10A Q9Y233 1/20 0.55
DAPK3 O43293 1/20 0.55
ROCK2 O75116 1/20 0.55
PIM1 P11309 1/20 0.55
RPS6KB1 P23443 1/20 0.55
RPS6KA3 P51812 1/20 0.55
CSNK2A1 P68400 1/20 0.55
DYRK1A Q13627 1/20 0.55

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
SCHEMBL859672 0.92 RAB9A (0.60) RAB9ANPC1PKMKDM4EMAPT
Hydrochloric Acid SCHEMBL859401 0.91 RAB9A (0.58) RAB9ANPC1PKMKDM4EMAPT
SCHEMBL14027384 0.79 KDM4E (1.00) RAB9ANPC1PKMKDM4EMAPT
SCHEMBL9517906 0.79 RAB9A (0.66) RAB9ANPC1PKMKDM4EMAPT
SCHEMBL16743428 0.74 ALDH1A1 (0.48) KDM4EMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL859594 0.73 KDM4E (0.86) RAB9ANPC1PKMKDM4EMAPT
SCHEMBL423547 0.73 NPC1 (0.58) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL6483036 0.72 NPC1 (0.64) RAB9ANPC1PKMKDM4EMAPT
SCHEMBL16743431 0.71 KDM4E (0.54) KDM4EMAPTSMN1; SMN2MAPK1LMNA
SCHEMBL16998590 0.71 ALDH1A1 (0.55) RAB9ANPC1KDM4EMAPTSMN1; SMN2

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-9315521-B2 Pyrimidines as novel therapeutic agents UNIVERSITé LAVAL (CA) 2016-04-19 US disclosed
US-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS UNIVERSITé LAVAL (CA) 2015-08-13 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-20150225423-A1 PYRIMIDINES AS NOVEL THERAPEUTIC AGENTS TYMS, P2RX2, TYMP RAB9A 3092/4885NPC1 2501/4885PKM 2525/4885

“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.