SCHEMBL2813904

SCHEMBL2813904

CNc1nc2ccccc2n2c(-c3ccccc3OC)cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ LMNA P02545 4/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ CYP3A4 P08684 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTR2C P28335 1/20 0.45
▸ IKBKB O14920 4/20 0.44
▸ CHUK O15111 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2816766 0.91 PDE2A (0.43) PDE2APDE10AALDH1A1KDM4ELMNA
SCHEMBL2814973 0.88 TP53 (0.48) PDE2APDE10AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2817052 0.85 IKBKB (0.59) PDE2APDE10AALDH1A1KDM4ECYP1A2
SCHEMBL2820672 0.84 PDE2A (0.52) PDE2APDE10AALDH1A1KDM4ELMNA
SCHEMBL2819611 0.83 ADORA2A (0.55) PDE2APDE10AALDH1A1KDM4ELMNA
SCHEMBL2815167 0.83 HTR2C (0.47) ALDH1A1KDM4ELMNAHSD17B10TDP1
SCHEMBL2818894 0.83 PDE2A (0.51) PDE2APDE10AALDH1A1KDM4ELMNA
SCHEMBL17895235 0.83 MAPT (0.46) ALDH1A1KDM4ELMNACYP1A2SMN1; SMN2
SCHEMBL17895078 0.83 ADORA1 (0.46) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL19771243 0.81 IKBKB (0.46) PDE2APDE10AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 — — EP claimed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 — — US claimed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 — — US claimed
EP-2205602-B1 IMIDAZO[1,2-A]QUINOXALINES AND DERIVATIVES THEREOF FOR TREATING CANCERS UNIV MONTPELLIER (FR) 2018-09-26 — — EP disclosed
US-8378098-B2 Imidazol[1,2-α]quinoxalines and derivatives for the treatment of cancers UNIVERSITE DE MONTPELLIER I (FR) 2013-02-19 — — US disclosed
US-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS UNIVERSITE DE MONTPELLIER I 2010-09-30 — — 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-20100249142-A1 IMIDAZOL[1,2-alpha]QUINOXALINES AND DERIVATIVES FOR THE TREATMENT OF CANCERS IDH3A, NRAS, KRAS PDE2A 1129/4885PDE10A 2521/4885ALDH1A1 657/4885

“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.

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