SCHEMBL12895009

SCHEMBL12895009

CCCc1ccc2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.49
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SUCNR1 Q9BXA5 9/20 0.44
OXGR1 Q96P68 1/20 0.41
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL6129289 0.87 KCNH2 (0.55) PDE10AALDH1A1SUCNR1OXGR1TDP1
SCHEMBL4823229 0.84 ALDH1A1 (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL23083184 0.83 PDE10A (0.49) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL28337161 0.83 PDE10A (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL20156313 0.83 HRH1 (0.50) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL27705784 0.83 PDE10A (0.48) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL21784747 0.82 PDE10A (0.46) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL6899530 0.80 SUCNR1 (0.47) PDE10AALDH1A1SUCNR1OXGR1
SCHEMBL276117 0.80 SUCNR1 (0.50) PDE10AALDH1A1KDM4ELMNAMEN1
SCHEMBL20481012 0.80 SUCNR1 (0.47) PDE10AALDH1A1LMNASUCNR1OXGR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
US-7879863-B2 Kallikrein inhibitors such as N-((2R)-3-methyl-2-{[4-(trifluoromethyl)phenyl]amino}butyl)-2-phenylacetamide trifluoroacetate, used for the treatment of gastrointestinal disorders, periodontal diseases, skin disorders, arthritis, hypotension, edema, respiratory system disorders and proliferative diseases AJINOMOTO CO., INC. (JP) 2011-02-01 US disclosed
US-20070066586-A1 ANILINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2007-03-22 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 (2 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-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN PDE10A 1240/4885ALDH1A1 747/4885KDM4E 965/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 PDE10A 909/4885ALDH1A1 4677/4885KDM4E 1164/4885

“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.