SCHEMBL2725965

SCHEMBL2725965

O=C(CCN1CCC1)c1ccccc1

nearest known ligand 0.90

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.90
ALDH1A1 P00352 5/20 0.90
GFER P55789 1/20 0.87
MAPT P10636 2/20 0.73
SIGMAR1 Q99720 1/20 0.67
HTR1A P08908 5/20 0.63
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
EGFR P00533 1/20 0.61

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
SCHEMBL10507206 0.96 ALDH1A1 (0.96) KMT2AALDH1A1GFERMAPTSIGMAR1
Hydrochloric Acid SCHEMBL10670221 0.95 ALDH1A1 (0.97) KMT2AALDH1A1GFERMAPTSIGMAR1
SCHEMBL10107784 0.95 ALDH1A1 (1.00) KMT2AALDH1A1GFERMAPTSIGMAR1
SCHEMBL5356971 0.95 ALDH1A1 (1.00) KMT2AALDH1A1GFERMAPTSIGMAR1
Hydrochloric Acid SCHEMBL29354698 0.93 ALDH1A1 (1.00) KMT2AALDH1A1GFERMAPTSIGMAR1
Hydrochloric Acid SCHEMBL10675086 0.93 ALDH1A1 (1.00) KMT2AALDH1A1GFERMAPTSIGMAR1
SCHEMBL16026463 0.92 KMT2A (0.83) KMT2AALDH1A1GFERMAPTSIGMAR1
Hydrochloric Acid SCHEMBL7934846 0.91 KMT2A (0.83) KMT2AALDH1A1GFERMAPTSIGMAR1
SCHEMBL31093108 0.91 KMT2A (0.74) KMT2AALDH1A1GFERMAPTSIGMAR1
SCHEMBL3893679 0.86 KMT2A (0.73) KMT2AALDH1A1GFERMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
US-9079910-B2 5-(1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-D]pyrimidine derivatives MERCK PATENT GMBH (DE) 2015-07-14 US disclosed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-2663566-B1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-03 EP disclosed
EP-2635581-B1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-25 EP disclosed
EP-2635581-B1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-25 EP disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-8865715-B2 Substituted 7-(1,2,3-Triazol-4-yl)-pyrrolo[2,3-b]pyrazines MERCK PATENT GMBH (DE) 2014-10-21 US disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-10-31 US disclosed
EP-2635581-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES Merck Patent GmbH (DE) 2013-09-11 EP disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
US-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-08-22 US disclosed
WO-2012095142-A1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-19 WO disclosed
WO-2012095142-A1 5-([1,2,3]TRIAZOLE-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-07-19 WO disclosed
WO-2012059171-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 WO disclosed
WO-2012059171-A1 7-([1,2,3]TRIAZOL-4-YL)-PYRROLO[2,3-B]PYRAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2012-05-10 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 (2 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-20130217951-A1 7-(1,2,3-TRIAZOL-4-YL) PYRROLO [2,3-B] PYRAZINE DERIVATIVES PDK1, PDK2, PDK3 KMT2A 1342/4885ALDH1A1 1183/4885GFER 4831/4885
US-20130289017-A1 5 (1,2,3-TRIAZOL-4-YL)-7H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PDK1, PDK2, PDK3 KMT2A 843/4885ALDH1A1 1206/4885GFER 4858/4885

“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.