SCHEMBL16094559

SCHEMBL16094559

CNc1nc(SC)ncc1/C=C/[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.39
▸ RXRA P19793 1/20 0.35
▸ LMNA P02545 6/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.34
▸ GALR2 O43603 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GABBR2 O75899 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GABBR1 Q9UBS5 1/20 0.33
▸ HTT P42858 3/20 0.33
▸ MAPT P10636 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL16094560 1.00 FBP1 (0.39) FBP1RXRALMNAKMT2AMEN1
SCHEMBL16100145 0.81 KMT2A (0.56) FBP1LMNAKMT2AMEN1POLB
SCHEMBL16100146 0.81 KMT2A (0.56) FBP1LMNAKMT2AMEN1POLB
SCHEMBL1521592 0.77 LMNA (0.40) LMNAKMT2AMEN1KDM4EHTT
SCHEMBL16094186 0.76 RXRA (0.34) FBP1RXRALMNAGALR2POLB
SCHEMBL16094185 0.76 RXRA (0.34) FBP1RXRALMNAGALR2POLB
SCHEMBL12876460 0.76 LMNA (0.47) LMNAKMT2AMEN1KDM4EHASPIN
SCHEMBL22150294 0.75 MEN1 (0.41) LMNAKMT2AMEN1KDM4EHTT
SCHEMBL4712409 0.75 MEN1 (0.44) LMNAKMT2AMEN1KDM4EHTT
SCHEMBL16120484 0.75 MEN1 (0.41) LMNAKMT2AMEN1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP claimed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP claimed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US claimed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US claimed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 — — EP claimed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 — — WO claimed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
EP-2968331-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-01-20 — — EP disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 — — WO disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 — — WO 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-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK FBP1 992/4885RXRA 2904/4885LMNA 2204/4885

“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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