SCHEMBL2876157

SCHEMBL2876157

N#CCc1n[nH]c(N)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 6/20 0.37
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 2/20 0.33
PLA2G2A P14555 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.32
RECQL P46063 2/20 0.31

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
SCHEMBL8645691 0.82 PRKACA (0.43) PRKACAPRKACGPRKACBKDM4EGAA
SCHEMBL31278209 0.82 PRKACA (0.43) PRKACAPRKACGPRKACBKDM4EGAA
SCHEMBL13066533 0.80 KDM4E (0.46) PRKACAPRKACGPRKACBKDM4EGAA
SCHEMBL4931757 0.79 MAPK1 (0.50) PRKACAPRKACGPRKACBMAPTMEN1
SCHEMBL10867779 0.79 PRKACA (0.41) PRKACAPRKACGPRKACBKDM4EGAA
SCHEMBL31277953 0.77 KDM4E (0.41) PRKACAPRKACGPRKACBMAPTMEN1
SCHEMBL6542933 0.77 PRKACA (0.40) PRKACAPRKACGPRKACBMAPTKDM4E
SCHEMBL26350852 0.77 KDM4E (0.33) PRKACAPRKACGPRKACBMAPTKDM4E
SCHEMBL4758500 0.76 MAPK1 (0.41) PRKACAPRKACGPRKACBMAPTMEN1
SCHEMBL6249863 0.74 MAPT (0.47) PRKACAPRKACGPRKACBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN claimed
US-20030134862-A1 Compounds BIOVITRUM AB (SE) 2003-07-17 US claimed
WO-2003053976-A1 PIPAZOLO [1,5-a] PYRIMIDINE DERIVATIVES AS MODULATORS OF PPAR BIOVITRUM AB (SE) 2003-07-03 WO claimed
CN-118948864-A Composition for relieving stomach ache from lilac flower, preparation and application thereof 内蒙古农业大学 2024-11-15 CN disclosed
WO-2024085725-A1 NOVEL COMPOUND DERIVATIVE AND PHARMACOLOGICAL USE THEREOF 고려대학교 산학협력단 2024-04-25 WO disclosed
WO-2023170608-A1 ACTIVATORS OF EFFECTOR T CELLS ORUM THERAPEUTICS, INC. (KR) 2023-09-14 WO disclosed
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-7985288-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-7985288-B2 Colorant compound and ink including the colorant compound CANON KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-7842693-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2010-11-30 US disclosed
WO-1996034916-A2 INK COMPOSITION ZENECA LIMITED (GB) 1996-11-07 WO disclosed
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 WO disclosed
WO-1995019169-A2 TREATMENT OF PLATELET DERIVED GROWTH FACTOR RELATED DISORDERS SUCH AS CANCER USING INHIBITORS OF PLATELET DERIVED GROWTH FACTOR RECEPTOR SUGEN, INC. (US) 1995-07-20 WO disclosed
WO-1994026260-A1 METHODS AND COMPOUNDS FOR INHIBITING CELL PROLIFERATIVE DISORDERS CHARACTERIZED BY ABNORMAL abl ACTIVITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 46 Jabotinsky Street (IL) 1994-11-24 WO disclosed
EP-0245222-B1 NITRILOPHORIC ELECTRON-DONOR-ACCEPTOR-ADSORBENTS GELINNOVATION H.B. (SE) 1990-07-04 EP disclosed
US-4897467-A ELECTRON DONOR-ACCEPTOR ADSORPTION; HYDROPHILIC POLYMER NETWORK WITH LIGANDS CONTAINING NITRILE GROUPS GELINNOVATION H.B. (SE) 1990-01-30 US disclosed
EP-0245222-A2 Nitrilophoric Electron-Donor-Acceptor-adsorbents GELINNOVATION H.B. (SE) 1987-11-11 EP disclosed
US-4236005-A ANTIANXIETY AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4178449-A Pyrazolo[1,5-a]pyrimidines and imidazo-[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1979-12-11 US 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 (1 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-20030134862-A1 Compounds PPARG, PPARA, PPARD PRKACA 1533/4885PRKACG 1188/4885PRKACB 1402/4885

“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.