SCHEMBL1723318

SCHEMBL1723318

COc1ncccc1NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.54
SLC22A12 Q96S37 1/20 0.45
ATR Q13535 2/20 0.45
P2RY1 P47900 3/20 0.43
NAMPT P43490 2/20 0.43
CYP17A1 P05093 3/20 0.42
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 2/20 0.41
KCNJ11 Q14654 1/20 0.41
TDP2 O95551 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
P2RY14 Q15391 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL30283184 1.00 METAP1 (0.54) METAP1SLC22A12ATRP2RY1NAMPT
SCHEMBL7848797 0.86 METAP1 (0.52) METAP1P2RY1NAMPTCYP17A1ALDH1A1
SCHEMBL28796559 0.86 GAA (0.46) METAP1SLC22A12ATRP2RY1NAMPT
SCHEMBL38662365 0.84 ATR (0.47) METAP1SLC22A12ATRNAMPTCYP17A1
SCHEMBL6868944 0.82 METAP1 (0.56) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL2392457 0.82 METAP1 (0.56) METAP1ATRNAMPTCYP17A1TDP2
SCHEMBL15266282 0.82 METAP1 (0.56) METAP1ATRP2RY1NAMPTCYP17A1
SCHEMBL30668778 0.82 METAP1 (0.56) METAP1ATRNAMPTCYP17A1P2RX7
SCHEMBL8495853 0.82 CETP (0.47) SLC22A12ATRP2RY1ALDH1A1P2RX7
SCHEMBL3243855 0.82 METAP1 (0.56) METAP1ATRNAMPTCYP17A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3807266-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-25 EP disclosed
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
WO-2019243964-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-6350745-B1 DIOXO-(PYRIDOOXAZINE) DERIVATIVES; ANTICOAGULANTS; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2002-02-26 US disclosed
US-6239132-B1 PREVENTING CORONARY ARTERY DISEASE, INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL, MERCK & CO., INC. 2001-05-29 US disclosed
WO-2000074682-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-12-14 WO disclosed
WO-2000064449-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-11-02 WO disclosed
US-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 US disclosed
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 US disclosed
US-5571775-A EFFECTIVE ON A BROAD SPECTRUM OF VEGETATION AT LOW APPLICATION RATES DOWELANCO (US) 1996-11-05 US disclosed
US-5532358-A Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-07-02 US disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed
WO-1996001828-A1 N-PYRIDINYL[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 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 (8 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 METAP1 4258/4885SLC22A12 4652/4885ATR 268/4885

“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.