SCHEMBL2339352

SCHEMBL2339352

O=C(O)NC(c1ccccn1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR3 Q99500 1/20 0.50
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNA5 P22460 3/20 0.42

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
SCHEMBL27959751 0.83 S1PR2 (0.46) S1PR2S1PR4S1PR3SLC6A3SLC6A2
SCHEMBL6392481 0.81 PARP1 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1CYP1A2
SCHEMBL12482867 0.81 S1PR2 (0.40) S1PR2S1PR4S1PR3SLC6A3SLC6A2
SCHEMBL14332939 0.81 KCNH2 (0.48) S1PR2S1PR4S1PR3ALDH1A1
SCHEMBL23143665 0.80 KDM4E (0.46) S1PR2S1PR4S1PR3SLC6A3SLC6A2
SCHEMBL29029999 0.80 S1PR2 (0.44) S1PR2S1PR4S1PR3SLC6A3SLC6A2
SCHEMBL27228935 0.79 ALDH1A1 (0.45) S1PR2S1PR4S1PR3SLC6A3SLC6A2
SCHEMBL5095778 0.79 HPGD (0.46) ALDH1A1CYP1A2KDM4EMEN1GAA
Trifluoroacetic Acid SCHEMBL14334022 0.78 KCNH2 (0.47) S1PR2S1PR4S1PR3ALDH1A1
SCHEMBL17530040 0.78 S1PR2 (0.58) S1PR2S1PR4S1PR3SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-3172213-B1 MACROCYCLIC KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2021-09-22 EP claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-2016044-B1 PENTACYCLINE DERIVATIVES FOR THE TREATMENT OF INFECTIONS HARVARD COLLEGE (US) 2020-06-10 EP claimed
EP-3209648-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2020-03-11 EP claimed
EP-2550285-B1 TRIOXACARCINS AND USES THEREOF HARVARD COLLEGE (US) 2017-07-19 EP claimed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
EP-3898613-B1 ANTICANCER COMPOUNDS PHARMA MAR SA (ES) 2023-08-09 EP disclosed
US-20220056021-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2022-02-24 US disclosed
EP-3898613-A1 ANTICANCER COMPOUNDS Pharma Mar S.A. (ES) 2021-10-27 EP disclosed
WO-2020127194-A1 ANTICANCER COMPOUNDS PHARMA MAR, S.A. (ES) 2020-06-25 WO disclosed
EP-2792683-A1 Compounds potentiating the activity of antifungal drugs Fundacion MEDINA. Centro de Excelencia en Investigacion de Medicamentos Innovadores en Andalucia (ES) 2014-10-22 EP disclosed
US-8748388-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-06-10 US disclosed
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds PHARMA MAR, S.A. (ES) 2013-03-14 US disclosed
EP-2231695-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-02-13 EP disclosed
US-20110207674-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2011-08-25 US disclosed
US-20100292163-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-18 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-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds SERPINH1, ERLIN2, PTMA S1PR2 2831/4885S1PR4 3925/4885S1PR3 3226/4885
US-20110207674-A2 ANTITUMORAL COMPOUNDS TP53, XPO1, TOP2B S1PR2 2584/4885S1PR4 2893/4885S1PR3 2311/4885
US-20100292163-A1 Antitumoral Compounds TP53, XPO1, TOP2B S1PR2 2584/4885S1PR4 2893/4885S1PR3 2311/4885
US-20220056021-A1 ANTICANCER COMPOUNDS TP53, MCL1, MYC S1PR2 3967/4885S1PR4 4082/4885S1PR3 3873/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC S1PR2 3967/4885S1PR4 4081/4885S1PR3 3873/4885

“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.