SCHEMBL1969117

SCHEMBL1969117

CCOC(=O)c1c(-c2ccccc2)n[nH]c1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.59
▸ ADORA3 P0DMS8 5/20 0.56
▸ ALDH1A1 P00352 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ HPGD P15428 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GRM6 O15303 2/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ TSHR P16473 3/20 0.50
▸ HTT P42858 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL25211948 0.88 ALDH1A1 (0.55) HPGDSADORA3ALDH1A1KDM4EHSD17B10
SCHEMBL7483303 0.86 KDM4E (0.55) HPGDSALDH1A1KDM4ERAB9ATP53
SCHEMBL11269746 0.86 HPGDS (0.61) HPGDSADORA3ALDH1A1KDM4EHSD17B10
SCHEMBL12398411 0.85 SMN1; SMN2 (0.66) ALDH1A1KDM4EHSD17B10RAB9ATP53
SCHEMBL3263722 0.82 HPGDS (0.57) HPGDSADORA3ALDH1A1KDM4EHSD17B10
SCHEMBL1753182 0.82 HPGDS (0.60) HPGDSADORA3ALDH1A1KDM4EHSD17B10
SCHEMBL16268639 0.82 ALDH1A1 (0.44) HPGDSADORA3ALDH1A1KDM4EHSD17B10
SCHEMBL5065916 0.82 JAK2 (0.52) HPGDSALDH1A1KDM4ERAB9AMAPT
SCHEMBL10928298 0.82 KDM4E (0.49) HPGDSALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL17279852 0.81 HPGDS (0.60) HPGDSADORA3ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 — — EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 — — US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 — — US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 — — EP disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 — — WO disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 — — US disclosed
US-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-05-16 — — US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 — — US disclosed
US-8389567-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-05 — — US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 — — EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 — — WO disclosed
EP-1618092-A4 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 — — EP disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 — — EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 — — WO disclosed
EP-1618092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-25 — — EP disclosed
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 — — EP disclosed
WO-2004099156-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 — — WO disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 — — WO disclosed
WO-1995013807-A1 INDOLO[2,1-b]QUINAZOLINE-6,12-DIONE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1995-05-26 — — WO disclosed
EP-0591830-A1 Carboxamide and urea derivatives having ACAT-inhibiting activityM Mitsubishi Chemical Corporation (JP) 1994-04-13 — — EP 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 (3 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-20130123265-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, ATP2A1 HPGDS 395/4885ADORA3 2779/4885ALDH1A1 4373/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 HPGDS 28/4885ADORA3 3774/4885ALDH1A1 404/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 HPGDS 28/4885ADORA3 3774/4885ALDH1A1 404/4885

“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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