SCHEMBL12377821

SCHEMBL12377821

Cc1cccc(-c2noc(=O)n2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
NOTUM Q6P988 1/20 0.44
TDP2 O95551 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
MAPK14 Q16539 1/20 0.42
CASP3 P42574 3/20 0.41
SENP7 Q9BQF6 3/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 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

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
SCHEMBL2284851 0.85 MAPT (0.36) MAPTTDP2RAB9ANPC1CASP3
SCHEMBL10151243 0.84 KMT2A (0.49) RAB9ANPC1CASP3SENP7SENP8
SCHEMBL2963309 0.80 MAPT (0.47) MAPTNOTUMTDP2RAB9ANPC1
SCHEMBL12377840 0.79 RAB9A (0.42) MAPTRAB9ANPC1MAPK14CASP3
SCHEMBL24483836 0.74 MAPT (0.42) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL14667331 0.73 HRH4 (0.43) RAB9ANPC1CASP3SENP7SENP8
SCHEMBL12377820 0.70 NOTUM (0.55) MAPTNOTUMTDP2RAB9ANPC1
SCHEMBL2959158 0.70 ALDH1A1 (0.43) MAPTTSHRALDH1A1KMT2ACYP1A2
SCHEMBL24469892 0.70 CA2 (0.38) MAPTTSHRALDH1A1KMT2AKDM4E
SCHEMBL20168365 0.70 DGAT1 (0.36) MAPTALDH1A1KMT2A

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 MAPT 4573/4885NOTUM 3182/4885TDP2 3798/4885

“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.