Sugi Predict

Sugi Predict / Compounds / SCHEMBL3600830

SCHEMBL3600830

SCHEMBL3600830

O=c1[nH]c2cc(C(F)(F)F)ccc2n2c(N3C=CC=CC=C3)ncc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 6/20 0.57
▸ PDE5A O76074 4/20 0.57
▸ NFKB1 P19838 2/20 0.40
▸ JUN P05412 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ KCNMA1 Q12791 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL3599063 0.91 PDE5A (0.47) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3592830 0.82 PDE9A (0.56) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL11997250 0.81 PDE9A (0.55) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3591537 0.81 PDE9A (0.55) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3593857 0.80 PDE5A (0.53) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3595947 0.73 PDE5A (0.46) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL13341429 0.73 PDE9A (0.71) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3491941 0.73 PDE9A (1.00) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL11997252 0.72 PDE5A (0.45) PDE9APDE5ANFKB1JUNNFKB2
SCHEMBL3582536 0.72 PDE5A (0.45) PDE9APDE5ANFKB1JUNNFKB2

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
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-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 (2 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-20100048556-A1 QUINOXALINE DERIVATIVES PDE9A, ADCY9, PRMT9 PDE9A 1/4885PDE5A 8/4885NFKB1 4231/4885
US-20140336197-A1 SUBSTITUTED IMIDAZO [1,5-a]QUINOXALINES AS A PDE9 INHIBITOR PDE9A, ADCY9, PDE3A PDE9A 1/4885PDE5A 6/4885NFKB1 4289/4885

“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.