SCHEMBL896649

SCHEMBL896649

CC(C)(C)Oc1ncccc1B(O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
RIPK1 Q13546 1/20 0.34
PLCG1 P19174 1/20 0.33
GAA P10253 1/20 0.33
LIPE Q05469 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
APLNR P35414 1/20 0.31
SSTR4 P31391 1/20 0.30

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
SCHEMBL30672649 1.00 ENPP2 (0.34) ENPP2RIPK1PLCG1GAALIPE
SCHEMBL30761883 0.85 SSTR4 (0.37) ENPP2SSTR4
SCHEMBL5128448 0.85 SSTR4 (0.37) ENPP2SSTR4
SCHEMBL29489857 0.79 ENPP2 (0.47) ENPP2LIPETDP1APLNR
SCHEMBL4794 0.79 ENPP2 (0.47) ENPP2LIPETDP1APLNR
Water SCHEMBL29953222 0.77 ENPP2 (0.45) ENPP2LIPETDP1APLNR
Water SCHEMBL1543573 0.77 ENPP2 (0.45) ENPP2LIPETDP1APLNR
Hydrochloric Acid SCHEMBL29955441 0.77 ENPP2 (0.45) ENPP2LIPETDP1APLNR
SCHEMBL27188178 0.76 SLC13A5 (0.42) GAAMEN1KMT2A
SCHEMBL29514083 0.76 ALDH1A1 (0.44) GAAPOLBMEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447475-A Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors H.隆德贝克有限公司 2024-01-26 CN disclosed
CN-111511742-B Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors H.隆德贝克有限公司 2023-10-27 CN disclosed
US-11535611-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2022-12-27 US disclosed
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2021-01-14 US disclosed
EP-3728250-A1 PYRAZOLO[3,4-beta]PYRIDINES AND IMIDAZO[1,5-beta]PYRIDAZINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-10-28 EP disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 US disclosed
CN-111511742-A Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2020-08-07 CN disclosed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
US-9637478-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2017-05-02 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-9353091-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2016-05-31 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-20150056164-A1 Antiviral Compounds and Uses Thereof ABBVIE INC. (US) 2015-02-26 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-8748443-B2 Antiviral compounds and uses thereof ABBVIE INC. (US) 2014-06-10 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
US-20120082646-A1 Antiviral Compounds And Uses Thereof ABBOTT LABORATORIES (US) 2012-04-05 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 (5 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-20210009571-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A ENPP2 1528/4885RIPK1 3797/4885PLCG1 649/4885
US-20150056164-A1 Antiviral Compounds and Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ENPP2 3570/4885RIPK1 1518/4885PLCG1 2942/4885
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 ENPP2 1087/4885RIPK1 2146/4885PLCG1 3738/4885
US-11535611-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors PDE5A, PDE12, PDE3A ENPP2 1528/4885RIPK1 3797/4885PLCG1 649/4885
US-20120082646-A1 Antiviral Compounds And Uses Thereof MAVS, ZC3HAV1, EIF2AK2 ENPP2 3570/4885RIPK1 1518/4885PLCG1 2942/4885

“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.