SCHEMBL3227967

SCHEMBL3227967

Cc1ccc2[nH]c(=O)[nH]c2c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.45
PDE3A Q14432 6/20 0.45
PDE2A O00408 1/20 0.45
P2RY12 Q9H244 1/20 0.45
DAO P14920 1/20 0.43
GRIA1 P42261 2/20 0.42
CACNG8 Q8WXS5 2/20 0.42
STING1 Q86WV6 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
PAX8 Q06710 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
Hydrochloric Acid SCHEMBL11468924 0.98 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12DAO
SCHEMBL7957683 0.83 GRIN2D (0.50) DAOGRIA1STING1KDM4E
SCHEMBL29636333 0.82 STING1 (0.42) PDE3BPDE3APDE2AP2RY12DAO
SCHEMBL17758382 0.79 GAA (0.47) PDE3BPDE3APDE2AP2RY12GRIA1
SCHEMBL22190939 0.79 IDH1 (0.38) PDE3BPDE3APDE2AP2RY12GRIA1
SCHEMBL21050748 0.79 GRIA1 (0.40) PDE3BPDE3APDE2AP2RY12GRIA1
SCHEMBL18358661 0.79 DAO (0.46) PDE3BPDE3APDE2AP2RY12DAO
SCHEMBL4560641 0.76 KDM4E (0.46) PDE3BPDE3APDE2AP2RY12DAO
SCHEMBL763349 0.76 GRIA1 (0.52) PDE3BPDE3ADAOGRIA1CACNG8
SCHEMBL7031010 0.75 STING1 (0.43) PDE3BPDE3APDE2AP2RY12DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203018-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC (US) 2023-06-29 US disclosed
US-11377441-B2 Covalent inhibitors of KRAS ARAXES PHARMA LLC (US) 2022-07-05 US disclosed
US-20210024501-A1 COVALENT INHIBITORS OF KRAS ARAXES PHARMA LLC 2021-01-28 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-9212169-B2 Benzimidazole derivative and use thereof HYOGO COLLEGE OF MEDICINE (JP) 2015-12-15 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF KAGOSHIMA UNIVERSITY (JP) 2015-01-08 US disclosed
WO-2010015037-A1 THERAPEUTIC METHODS AND COMPOSITIONS HOWARD FLOREY INSTITUTE (AU) 2010-02-11 WO 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 (4 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-20210024501-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS PDE3B 3124/4885PDE3A 3123/4885PDE2A 3625/4885
US-11377441-B2 Covalent inhibitors of KRAS KRAS, NRAS, HRAS PDE3B 3124/4885PDE3A 3123/4885PDE2A 3625/4885
US-20230203018-A1 COVALENT INHIBITORS OF KRAS KRAS, NRAS, HRAS PDE3B 3124/4885PDE3A 3123/4885PDE2A 3625/4885
US-20150011600-A1 NOVEL BENZIMIDAZOLE DERIVATIVE AND USE THEREOF HDAC1, HDAC11, HDAC6 PDE3B 227/4885PDE3A 252/4885PDE2A 269/4885

“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.