Sugi Predict

Sugi Predict / Compounds / SCHEMBL382787

SCHEMBL382787

SCHEMBL382787

Cc1cc(C(=O)N(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.68
▸ RAB9A P51151 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ MAPT P10636 4/20 0.56
▸ POLB P06746 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ ERN1 O75460 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ ALPL P05186 1/20 0.48
▸ MGAM O43451 1/20 0.47
▸ AMY1A P0DUB6 1/20 0.47
▸ SI P14410 1/20 0.47
▸ MGAM2 Q2M2H8 1/20 0.47

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
SCHEMBL5914014 0.87 TSHR (0.68) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12924164 0.84 TSHR (0.60) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1857955 0.83 ALDH1A1 (0.53) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29547015 0.83 ALDH1A1 (0.53) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14236795 0.83 TSHR (0.62) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14314759 0.83 TSHR (0.62) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28050912 0.82 TSHR (0.77) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL355589 0.82 ALDH1A1 (0.52) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL21544194 0.82 ALDH1A1 (0.52) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL30477963 0.82 ALDH1A1 (0.52) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776445-B1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2016-08-10 — — EP disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — US disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 — — EP disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524902-B2 [1,2,4]triazolo[4,3-f]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 — — WO disclosed
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 — — US disclosed
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 — — EP disclosed
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 — — EP disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — US disclosed
WO-2007120752-A2 4, 5-DIHYDRO- [1, 2, 4] TRIAZOLO [4, 3-F] PTERIDINES AS PROTEIN KINASE PLK1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-25 — — 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 (4 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 TSHR 2455/4885RAB9A 1459/4885NPC1 1641/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 TSHR 2455/4885RAB9A 1459/4885NPC1 1641/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 TSHR 2062/4885RAB9A 1399/4885NPC1 1968/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 TSHR 2455/4885RAB9A 1459/4885NPC1 1641/4885

“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.