SCHEMBL21292084

SCHEMBL21292084

CNC(=O)c1[nH]c2cccnc2c1-c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.44
TGFBR2 P37173 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PDE9A O76083 1/20 0.41
PDE4A P27815 1/20 0.41
MAP2 P11137 2/20 0.40
RIPK1 Q13546 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL22907746 0.86 MAP2 (0.53) TGFBR1TGFBR2MAPTPOLBPDE9A
SCHEMBL18322288 0.84 MAP2 (0.53) TGFBR1TGFBR2KDM4EALDH1A1PDE9A
SCHEMBL18322262 0.83 TP53 (0.48) PDE4ARIPK1
SCHEMBL18322245 0.80 ALDH1A1 (0.58) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL29030308 0.74 PDE9A (0.56) TGFBR1TGFBR2KDM4EALDH1A1PDE9A
SCHEMBL3877998 0.71 PARP1 (0.48) PDE9AMAP2MAPK14PARP1
SCHEMBL2049135 0.70 TUBB4A (0.47) MAPTPOLBALDH1A1PKN1PKN2
SCHEMBL18322246 0.69 PDE9A (0.51) MAPTKDM4EALDH1A1PDE9AMAPK14
SCHEMBL3883122 0.68 HPSE (0.50) TGFBR1MAPTKDM4EPDE9AKDR
SCHEMBL13761304 0.68 ALDH1A1 (0.47) MAPTKDM4EALDH1A1PDE9AGAA

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
CN-107787322-B Tricyclic compounds and their use as phosphodiesterase inhibitors 辉瑞大药厂 2023-07-07 CN disclosed
US-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-05-11 US disclosed
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER INC. (US) 2023-01-05 US disclosed
EP-3766885-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PFIZER (US) 2022-05-25 EP disclosed
EP-3766885-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS Pfizer Inc (US) 2021-01-20 EP disclosed
EP-3310784-B1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS. PFIZER (US) 2020-10-07 EP disclosed
US-20190263816-A1 Tricyclic Compounds And Their Use As Phosphodiesterase Inhibitors PFIZER INC. (US) 2019-08-29 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 (3 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-20230146535-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A TGFBR1 1016/4885TGFBR2 1750/4885MAPT 4391/4885
US-20190263816-A1 Tricyclic Compounds And Their Use As Phosphodiesterase Inhibitors PDE3B, PDE3A, PDE5A TGFBR1 1016/4885TGFBR2 1750/4885MAPT 4391/4885
US-20230002386-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE5A TGFBR1 1016/4885TGFBR2 1750/4885MAPT 4391/4885

“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.