SCHEMBL934667

SCHEMBL934667

Nc1ncccc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.46
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
NAPRT Q6XQN6 1/20 0.39
HTR1A P08908 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 3/20 0.39
MAP4K4 O95819 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LTA4H P09960 1/20 0.35
MAPK14 Q16539 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL30469945 1.00 PDK2 (0.46) PDK2NOS3NOS1NOS2NAPRT
Potassium SCHEMBL29930626 0.98 PDK2 (0.45) PDK2NOS3NOS1NOS2NAPRT
SCHEMBL28763152 0.92 NOS3 (0.42) PDK2NOS3NOS1NOS2NAPRT
SCHEMBL5954915 0.92 NOS1 (0.42) PDK2NOS3NOS1NOS2NAPRT
SCHEMBL2718434 0.90 CYP11B2 (0.43) PDK2NOS3NOS1NOS2HTR1A
SCHEMBL624461 0.89 DHFR (0.42) PDK2NOS3NOS1NOS2NAPRT
SCHEMBL1693643 0.87 PDE10A (0.42)
SCHEMBL1429509 0.87 HTR1A (0.55) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17477141 0.84 HTR1D (0.43) NOS3NOS1NOS2HTR1ACYP1A2
SCHEMBL24364886 0.82 NOS3 (0.41) PDK2NOS3NOS1NOS2NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143007-A Tetrahydrocarbazole derivative and photocatalytic synthesis method thereof 陕西科技大学 2023-12-01 CN claimed
EP-4737450-A1 HETEROAROMATIC FORMAMIDE COMPOUNDS AND USES THEREOF IN MEDICINE Longwood Pharmaceuticals (Hangzhou) Co., Ltd (CN) 2026-05-06 EP disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2025-12-18 US disclosed
US-12440491-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2025-10-14 US disclosed
US-20250276967-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES SIGNAL PHARMACEUTICALS, LLC 2025-09-04 US disclosed
US-12338235-B2 Heterocyclic compounds and their use for treatment of helminthic infections and diseases CELGENE CORPORATION (US) 2025-06-24 US disclosed
WO-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
EP-2114942-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
EP-2116543-A1 NOVEL AMINOPYRIMIDINE DERIVATIVE AS PLK1 INHIBITOR BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-11-11 EP disclosed
CN-101573361-A Novel aminopyrimidine derivative as plk1 inhibitor BANYU PHARMA CO LTD (JP) 2009-11-04 CN disclosed
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
WO-2008081910-A1 NOVEL AMINOPYRIMIDINE DERIVATIVES AS PLK1 INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-10 WO disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (9 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A PDK2 1179/4885NOS3 1709/4885NOS1 2598/4885
US-20250276967-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, HAX1, HRH4 PDK2 2529/4885NOS3 1702/4885NOS1 1392/4885
US-20080305081-A1 Novel aminopyrimidine derivatives as PLK1 inhibitors PLK1, AURKA, CDK1 PDK2 441/4885NOS3 3049/4885NOS1 3161/4885
US-20250381187-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS PDK2 3411/4885NOS3 4868/4885NOS1 4754/4885
US-12338235-B2 Heterocyclic compounds and their use for treatment of helminthic infections and diseases CYP8B1, HAX1, HRH4 PDK2 2529/4885NOS3 1702/4885NOS1 1392/4885
US-12440491-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS PDK2 3411/4885NOS3 4868/4885NOS1 4754/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 PDK2 2276/4885NOS3 556/4885NOS1 619/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 PDK2 2276/4885NOS3 556/4885NOS1 619/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 PDK2 4119/4885NOS3 2054/4885NOS1 1666/4885

“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.