SCHEMBL3306872

SCHEMBL3306872

Oc1nc(O)c2ccc(Br)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
ACHE P22303 1/20 0.39
BACE1 P56817 2/20 0.38
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PABPC1 P11940 1/20 0.36
ERN1 O75460 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALOX15 P16050 1/20 0.35
F2 P00734 3/20 0.35
PTGES O14684 1/20 0.35
NOS1 P29475 2/20 0.33
METAP2 P50579 2/20 0.33
PLAU P00749 1/20 0.33
CSNK2A1 P68400 1/20 0.33
DYRK1A Q13627 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
SCHEMBL29487338 1.00 MPO (0.41) MPOACHEBACE1HTTCYP1A2
SCHEMBL3498669 0.84 HTT (0.44) MPOACHEHTTCYP1A2CYP2C19
SCHEMBL7427955 0.81 MPO (0.46) MPOACHEBACE1HTTCYP1A2
SCHEMBL5498929 0.81 HRH4 (0.50) MPOACHEBACE1HTTPABPC1
SCHEMBL15054414 0.77 MPO (0.46) MPOACHEERN1HRH4ALOX15
SCHEMBL3503833 0.77 MPO (0.40) MPOACHEBACE1HTTCYP1A2
SCHEMBL1692503 0.77 MPO (0.40) MPOACHEBACE1HTTCYP1A2
SCHEMBL17384456 0.77 MPO (0.43) MPOACHEBACE1HTTCYP1A2
SCHEMBL14283162 0.77 ACHE (0.38) MPOACHEBACE1HTTCYP1A2
SCHEMBL24777192 0.76 MPO (0.41) MPOACHEBACE1HTTCYP1A2

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
US-20220185832-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-16 US disclosed
CN-114206841-A CD73 inhibitor 博奥阿迪斯生物科技公司 2022-03-18 CN disclosed
WO-2020211668-A1 CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
WO-2020210938-A1 QUINAZOLINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
US-20100098788-A1 Extracts of Curcuma and Methods of Use Thereof HERBALSCIENCE GROUP, LLC 2010-04-22 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-20220185832-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 MPO 660/4885ACHE 1259/4885BACE1 806/4885

“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.