SCHEMBL626994

SCHEMBL626994

O=C1CNc2cccnc2N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.49
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
OTUD7B Q6GQQ9 4/20 0.40
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRL1 P41146 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CDK5 Q00535 4/20 0.37
CDK5R1 Q15078 4/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3A P49840 1/20 0.37

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
SCHEMBL3835689 0.85 CYP1A2 (0.47) GSK3BCYP1A2SMN1; SMN2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8793068 0.83 CYP1A2 (0.46) GSK3BCYP1A2SMN1; SMN2CYP11B1CYP11B2
SCHEMBL3951636 0.81 GSK3B (0.46) GSK3BCYP1A2SMN1; SMN2OTUD7BCDK5
SCHEMBL4606296 0.77 ALOX15 (0.42) GSK3BCYP1A2SMN1; SMN2GAAALOX15
SCHEMBL7337375 0.76 HTR5A (0.47) GSK3BCYP1A2SMN1; SMN2MAPTKDM4E
SCHEMBL5319756 0.74 GSK3B (0.38) GSK3BCYP1A2SMN1; SMN2OPRM1OPRD1
SCHEMBL7476995 0.74 SMN1; SMN2 (0.55) GSK3BCYP1A2SMN1; SMN2OTUD7BMAPT
SCHEMBL7102226 0.74
SCHEMBL9110605 0.73 CYP11B1 (0.40) GSK3BCYP11B1CYP11B2CDK5GSK3A
SCHEMBL31033318 0.73 CREBBP (0.61) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 US disclosed
US-20230312474-A1 PHENOL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-10-05 US disclosed
EP-4206184-A1 PHENOL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-07-05 EP disclosed
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD (SG) 2023-04-20 US disclosed
EP-4129989-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2023-02-08 EP disclosed
EP-4023293-A1 2-AMINOQUINAZOLINONE DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2022-07-06 EP disclosed
US-11352366-B2 2-aminoquinazolinone derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-07 US disclosed
US-20210387967-A1 2-HETEROARYL AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-12-16 US disclosed
US-20210380598-A1 2-AMINOQUINAZOLINONE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-12-09 US disclosed
WO-2021215537-A1 2-HETEROARYLAMINOQUINAZOLINONE DERIVATIVE 大日本住友製薬株式会社 (JP) 2021-10-28 WO disclosed
US-8796268-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
EP-2603214-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
EP-2603216-A1 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-06-19 EP disclosed
US-20120178723-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120172345-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-05 US disclosed
US-20120142732-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-07 US disclosed
WO-2012021615-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021611-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2012021696-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-16 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 (10 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 GSK3B 1344/4885CYP1A2 1775/4885SMN1; SMN2 3145/4885
US-20120172345-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 GSK3B 57/4885CYP1A2 145/4885SMN1; SMN2 4003/4885
US-20210387967-A1 2-HETEROARYL AMINOQUINAZOLINONE DERIVATIVE CRKL, CLIC4, CLIC1 GSK3B 3718/4885CYP1A2 165/4885SMN1; SMN2 3266/4885
US-20130267563-A1 HETEROARYLS AND USES THEREOF RICTOR, MTOR, AKT1S1 GSK3B 59/4885CYP1A2 259/4885SMN1; SMN2 3857/4885
US-20120142732-A1 HETEROARYLS AND USES THEREOF PIK3R4, PIK3C2B, PIK3R1 GSK3B 734/4885CYP1A2 1443/4885SMN1; SMN2 4275/4885
US-20230312474-A1 PHENOL DERIVATIVE TYR, NCOR1, BET1 GSK3B 2780/4885CYP1A2 91/4885SMN1; SMN2 2949/4885
US-20120178723-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 GSK3B 42/4885CYP1A2 70/4885SMN1; SMN2 4156/4885
US-20210380598-A1 2-AMINOQUINAZOLINONE DERIVATIVE CNKSR1, HAX1, SLC26A3 GSK3B 2531/4885CYP1A2 27/4885SMN1; SMN2 2469/4885
US-11352366-B2 2-aminoquinazolinone derivative CNKSR1, HAX1, SLC26A3 GSK3B 2531/4885CYP1A2 27/4885SMN1; SMN2 2469/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 GSK3B 1344/4885CYP1A2 1775/4885SMN1; SMN2 3145/4885

“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.