SCHEMBL12377840

SCHEMBL12377840

Cc1cccc(-c2noc(=S)n2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.42
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
CHEK1 O14757 1/20 0.41
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41

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
SCHEMBL12377821 0.79 MAPT (0.46) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL12377842 0.70 NPC1 (0.50) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL301247 0.67 ACHE (0.69) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL31471473 0.67 ACHE (0.69) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL29373699 0.67 ACHE (0.69) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL12377819 0.67 LMNA (0.53) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL12266910 0.66 CSF1R (0.49) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL29171117 0.66 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL30785610 0.66 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDTSHR
SCHEMBL12586462 0.66 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D RAB9A 2645/4885NPC1 1132/4885SMN1; SMN2 3525/4885

“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.