SCHEMBL17903202

SCHEMBL17903202

Oc1nc(N/N=C/c2ccc3c(c2)OCO3)nc(N2CCOCC2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ALDH1A1 P00352 8/20 0.64
▸ KDM4E B2RXH2 4/20 0.64
▸ MAPT P10636 7/20 0.59
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C1 Q04828 1/20 0.57
▸ HTT P42858 5/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ MEN1 O00255 5/20 0.54
▸ LMNA P02545 5/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ POLB P06746 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ RAB9A P51151 1/20 0.51
▸ NSD2 O96028 1/20 0.51

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
SCHEMBL22337232 0.83 KMT2A (0.83) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL26135108 0.79 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL31653615 0.79 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL26115021 0.79 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL1444576 0.71 MAPT (0.69) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL11961917 0.71 MAPT (0.69) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL22892508 0.70 MAPT (0.71) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL26135935 0.70 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPTAKR1C3
SCHEMBL26135049 0.70 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPTAKR1C3
SCHEMBL26136383 0.70 KMT2A (0.65) KMT2AALDH1A1KDM4EMAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194336-A1 P38 MAPK INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ALLINKY BIOPHARMA (ES) 2016-07-07 — — US disclosed
US-20160194336-A1 P38 MAPK INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES ALLINKY BIOPHARMA (ES) 2016-07-07 — — 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-20160194336-A1 P38 MAPK INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES MAPK14, MAPK1, MAPK11 KMT2A 3887/4885SMN1; SMN2 1987/4885ALDH1A1 4444/4885

“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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