SCHEMBL3554847

SCHEMBL3554847

NC(=O)c1ccnc(N2CCOCC2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.76
MAPK13 O15264 1/20 0.54
ALDH1A1 P00352 4/20 0.50
KMO O15229 1/20 0.49
PRMT5 O14744 1/20 0.47
ATR Q13535 5/20 0.47
PRKD3 O94806 1/20 0.47
PRKD1 Q15139 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
LRRK2 Q5S007 2/20 0.46
STK4 Q13043 1/20 0.46
STK3 Q13188 1/20 0.46
ATRIP Q8WXE1 3/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL29889392 1.00 PIK3CA (0.76) PIK3CAMAPK13ALDH1A1KMOPRMT5
SCHEMBL1255470 0.86 PIK3CA (1.00) PIK3CAMAPK13ALDH1A1KMOPRMT5
SCHEMBL4309526 0.86 PRKD1 (0.60) PIK3CAALDH1A1PRMT5PRKD3PRKD1
SCHEMBL12639899 0.85 PIK3CA (0.76) PIK3CAMAPK13ALDH1A1KMOPRMT5
SCHEMBL1516927 0.85 PIK3CA (0.76) PIK3CAMAPK13ALDH1A1KMOPRMT5
SCHEMBL19160077 0.85 PIK3CA (0.76) PIK3CAMAPK13ALDH1A1KMOPRMT5
Hydrochloric Acid SCHEMBL15819749 0.85 PIK3CA (0.97) PIK3CAMAPK13ALDH1A1KMOPRMT5
SCHEMBL7692421 0.85 MAPK13 (0.60) PIK3CAMAPK13POLBNPC1MAPK14
SCHEMBL30290310 0.84 PRKD3 (0.62) PIK3CAALDH1A1PRMT5PRKD3PRKD1
Lithium Ion SCHEMBL31706550 0.84 PIK3CA (0.74) PIK3CAMAPK13ALDH1A1KMOPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP claimed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO claimed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-05-31 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
US-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 US disclosed
CN-101796038-A Oxazole tyrosine kinase inhibitors SAREUM LTD 2010-08-04 CN disclosed
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-20070173521-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-07-26 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
CN-1319092-A Benzamide derivatives and their use as cytokine inhibitors ASTRAZENECA AB (SE) 2001-10-24 CN disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 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-20180148440-A1 SUBSTITUTED 2-(CHROMAN-6-YLOXYL)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS RYR2, SLC8B1, P2RX1 PIK3CA 1842/4885MAPK13 3351/4885ALDH1A1 1745/4885
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 PIK3CA 579/4885MAPK13 38/4885ALDH1A1 1895/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 PIK3CA 93/4885MAPK13 2863/4885ALDH1A1 1065/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 PIK3CA 343/4885MAPK13 3024/4885ALDH1A1 617/4885
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT PIK3CA 1016/4885MAPK13 1590/4885ALDH1A1 3848/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT PIK3CA 1016/4885MAPK13 1590/4885ALDH1A1 3848/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 PIK3CA 4173/4885MAPK13 1957/4885ALDH1A1 2196/4885
US-20070173521-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PIK3CA 469/4885MAPK13 4644/4885ALDH1A1 2381/4885

“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.