SCHEMBL3602252

SCHEMBL3602252

CCOC(=O)c1ccc2[nH]c(=O)c3nnc(-c4ccccc4)n3c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.65
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
POLB P06746 2/20 0.59
HPGD P15428 2/20 0.59
G6PD P11413 1/20 0.59
PKM P14618 1/20 0.59
ALOX12 P18054 1/20 0.59
HKDC1 Q2TB90 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL3586904 0.86 KDM4E (0.68) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1721959 0.84 KDM4E (0.57) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL3597883 0.83 TUBB4A (0.51) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1721719 0.83 KDM4E (0.61) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1721656 0.83 ALDH1A1 (0.61) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL3595824 0.82 PDE2A (0.53) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1722019 0.81 KDM4E (0.54) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1723378 0.80 KDM4E (0.52) PDE2AMAPTALDH1A1KDM4EPOLB
SCHEMBL1722474 0.79 POLB (0.56) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL14360228 0.79 PDE2A (1.00) PDE2APDE10ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040536-B2 Substituted pyrrolo[1,2-a]quinoxalines as PDE9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-05-26 US disclosed
EP-2848620-A1 Quinoxaline derivatives ASKA Pharmaceutical Co., Ltd. (JP) 2015-03-18 EP disclosed
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR ASKA PHARM CO LTD (JP) 2014-11-13 US disclosed
US-8829000-B2 Substituted imidazo[1,5-A]quinoxalines as phosphodiesterase 9 inhibitors ASKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor OKADA MAKOTO (JP) 2013-08-29 US disclosed
US-8299080-B2 Substituted imidazo[1,5-A] quinoxalines as a PDE9 inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-30 US disclosed
EP-2489667-A1 Quinoxaline derivative ASKA Pharmaceutical Co., Ltd. (JP) 2012-08-22 EP disclosed
US-20100048556-A1 QUINOXALINE DERIVATIVES ASKA PHARMACEUTICAL CO., LTD. (JP) 2010-02-25 US disclosed
EP-2103613-A1 QUINOXALINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2009-09-23 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 (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-20130225572-A1 Substituted Imidazo[1,5-A]Quinoxalines As a PDE9 Inhibitor PDE9A, ADCY9, PDE3A PDE2A 5/4885MAPT 4871/4885ALDH1A1 858/4885
US-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE2A 4/4885MAPT 4868/4885ALDH1A1 1387/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE2A 5/4885MAPT 4871/4885ALDH1A1 858/4885

“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.