SCHEMBL16094296

SCHEMBL16094296

C[S+]([O-])c1ncc(C=C[N+](=O)[O-])c(NC2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.38
▸ MEN1 O00255 7/20 0.38
▸ GABBR2 O75899 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GABBR1 Q9UBS5 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ ATM Q13315 3/20 0.32
▸ BLM P54132 2/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ RIPK1 Q13546 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ GAA P10253 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
SCHEMBL16094294 1.00 KMT2A (0.38) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16120489 0.81 F2R (0.34) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL22150303 0.81 F2R (0.34) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16094185 0.81 RXRA (0.34) LMNAMAPTPOLBALDH1A1MITF
SCHEMBL16094186 0.81 RXRA (0.34) LMNAMAPTPOLBALDH1A1MITF
SCHEMBL16100146 0.80 KMT2A (0.56) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL16120475 0.80 HPGDS (0.33) KMT2ACYP1A2GAAALDH1A1HPGDS
SCHEMBL16094556 0.80 HPGDS (0.33) KMT2ACYP1A2GAAALDH1A1HPGDS
SCHEMBL16100145 0.80 KMT2A (0.56) KMT2AMEN1GABBR2CYP1A2CYP2C9
SCHEMBL17709563 0.79 KMT2A (0.34) KMT2AGAAALDH1A1HPGDS

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 13 patents. 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-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
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
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

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 KMT2A 1361/4885MEN1 2972/4885GABBR2 3832/4885

“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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