SCHEMBL12895010

SCHEMBL12895010

CCc1cc2cccnc2nc1C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GRM1 Q13255 2/20 0.38
ACP1 P24666 1/20 0.37
CCR1 P32246 2/20 0.36
CCR8 P51685 2/20 0.36
SLC40A1 Q9NP59 1/20 0.35
CCR5 P51681 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
SCHEMBL12463791 0.82 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL12134726 0.82 PSMB5 (0.41) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL12463810 0.80 PPARG (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL22792556 0.78 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL5857446 0.78 PDE4A (0.37) ALDH1A1MEN1KMT2A
SCHEMBL9385457 0.77 CCR1 (0.48) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9953697 0.77 DHODH (0.45) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL30724619 0.77 DHODH (0.45) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL17683804 0.75 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL3893117 0.74 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778306-B Synthesis method of 1, 8-naphthyridine derivative 吉林化工学院 2024-01-26 CN disclosed
CN-112778306-A Synthetic method of 1, 8-naphthyridine derivative 吉林化工学院 2021-05-11 CN disclosed
WO-2015095430-A1 METHODS AND INTERMEDIATES FOR THE PREPARATION OF MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885MEN1 761/4885KMT2A 2604/4885
US-20070066586-A1 ANILINE DERIVATIVES SERPINB1, ACE, REN ALDH1A1 747/4885MEN1 980/4885KMT2A 519/4885

“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.