SCHEMBL15580432

SCHEMBL15580432

Cc1c[nH]c2ncn(C)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
BCAT2 O15382 2/20 0.40
HPGD P15428 1/20 0.40
GDA Q9Y2T3 1/20 0.40
THRB P10828 1/20 0.38
SYK P43405 3/20 0.36
AKT1 P31749 7/20 0.36
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
BRD4 O60885 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL21896047 0.84 LMNA (0.41) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL15520411 0.82 CHEK1 (0.42) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL21896051 0.82 LMNA (0.40) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL30324782 0.76 MAPT (0.36) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL7013187 0.69 CYP1A2 (0.56) LMNAALDH1A1TSHRBLMBCAT2
SCHEMBL1992699 0.68 ALDH1A1 (0.43) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL15801428 0.68 ADORA2A (0.42) LMNAMAPTCYP3A4BLMPMP22
SCHEMBL23505912 0.67 PRKCI (0.43) LMNAMAPTALDH1A1CYP3A4TSHR
SCHEMBL20203287 0.66 BCAT2 (0.39) LMNAMAPTBCAT2HPGDGDA
SCHEMBL23718222 0.66 TRPA1 (0.42) LMNABCAT2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
EP-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 EP 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 LMNA 3557/4885MAPT 4569/4885ALDH1A1 629/4885

“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.