SCHEMBL16082062

SCHEMBL16082062

O=c1[nH]nc(C2CCCC2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 4/20 0.37
▸ TYK2 P29597 4/20 0.37
▸ JAK3 P52333 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL16059650 0.95 HCAR2 (0.35) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL16060013 0.91 — —
SCHEMBL18489046 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL18482643 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL18482696 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL18489048 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL18760503 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL18482642 0.72 ADORA2A (0.44) ADORA2AADORA2BSMN1; SMN2ADORA3LMNA
SCHEMBL10153386 0.71 PARP1 (0.38) CYP1A2
SCHEMBL11138215 0.65 HTT (0.50) ADORA2AADORA2BSMN1; SMN2LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193719-B2 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-24 — — US disclosed
US-9193719-B2 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-24 — — US disclosed
US-9193719-B2 1,2,4-triazol-5-ones and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2015-11-24 — — US disclosed
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-02 — — US disclosed
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-02 — — US disclosed
US-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-10-02 — — US disclosed
WO-2014145023-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 — — 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-20140296252-A1 1,2,4-TRIAZOL-5-ONES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, CSF1R, CSF3R ADORA2A 2333/4885ADORA2B 2115/4885SMN1; SMN2 3308/4885

“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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