SCHEMBL626229

SCHEMBL626229

O=C1NCc2cccnc2N1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MB P02144 1/20 0.53
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
GSK3B P49841 1/20 0.38
ADAM17 P78536 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
IDH1 O75874 6/20 0.36
NPC1 O15118 1/20 0.34

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
SCHEMBL29361773 1.00 MB (0.53) MBCYP11B1CYP11B2CYP1A2SMN1; SMN2
SCHEMBL6001078 0.81 PDPK1 (0.42) MBCYP1A2SMN1; SMN2ADRA2AADRA2B
SCHEMBL2400223 0.79
SCHEMBL5319756 0.78 GSK3B (0.38) CYP1A2SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL4606296 0.77 ALOX15 (0.42) CYP1A2SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL13801620 0.77 ADRA2A (0.38) MBCYP1A2SMN1; SMN2CA12CA9
SCHEMBL1253734 0.77 CA12 (0.38) CYP1A2SMN1; SMN2CA12CA9ADRA2A
SCHEMBL4162589 0.76 CYP1A2 (0.50) CYP1A2SMN1; SMN2IDH1
SCHEMBL578594 0.74 GSK3B (0.53) CYP11B1CYP11B2CYP1A2SMN1; SMN2ADRA2A
SCHEMBL29499281 0.74 GSK3B (0.53) CYP11B1CYP11B2CYP1A2SMN1; SMN2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569295-B2 Bicyclic urea compounds MERCK PATENT GMBH (DE) 2013-10-29 US claimed
EP-2461869-B1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2013-08-21 EP claimed
US-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS MERCK PATENT GMBH (DE) 2012-07-26 US claimed
WO-2024146599-A1 DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2024-07-11 WO disclosed
WO-2024146599-A1 DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2024-07-11 WO disclosed
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-09-14 US disclosed
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-09-14 US disclosed
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 US disclosed
EP-4186902-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2023-05-31 EP disclosed
EP-4186902-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Nanjing Chia Tai Tianqing Pharmaceutical Co., Ltd. (CN) 2023-05-31 EP disclosed
WO-2022017449-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 南京正大天晴制药有限公司 2022-01-27 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
CN-1040327-C Optionally substituted pyrido [2,3-d] pyrimidine-2,4(1H,3H)-diones and pyrido [2,3-d] pyrimidine-2(1H,3H)-ones SYNTEX INC (US) 1998-10-21 CN disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
EP-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
EP-0626373-A1 Quinazolinone derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-30 EP disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed
US-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 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 (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-20120190654-A1 NOVEL BICYCLIC UREA COMPOUNDS CCNC, CCNI, CCNA1 MB 4282/4885CYP11B1 1460/4885CYP11B2 1917/4885
US-20230286979-A1 SALT OF DIHYDROPYRIDO[2,3-D]PYRIMIDINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FH, GRHPR, SDHB MB 1391/4885CYP11B1 161/4885CYP11B2 216/4885
US-20230271958-A1 SALT AND CRYSTAL FORM OF DIHYDROPYRIDO[2,3-d]PYRIMIDINE DERIVATE DCK, DPYD, UCK2 MB 4777/4885CYP11B1 2542/4885CYP11B2 2446/4885

“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.