SCHEMBL19689004

SCHEMBL19689004

CC1(Nc2ncc3nc(Nc4cccc(Cl)c4)[nH]c3n2)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.40
SYK P43405 1/20 0.40
EGFR P00533 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
HPGD P15428 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2B P41595 1/20 0.36
CDK1 P06493 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL19685999 0.98 GRM5 (0.42) GRM5MAOBMAOASYKEGFR
SCHEMBL19685543 0.92 GRM5 (0.39) GRM5MAOBMAOASYKEGFR
SCHEMBL29717657 0.78 GRM4 (0.31)
SCHEMBL19685626 0.77 KCNH2 (0.49) EGFRHPGDMAPT
SCHEMBL19689055 0.77 SYK (0.40) GRM5MAOBMAOASYKEGFR
SCHEMBL19685979 0.76 BCDIN3D (0.34) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL19686048 0.75 MAPK1 (0.46) CSNK2A2CSNK2BCSNK2A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7659957 0.73 EGFR (0.44) SYKEGFRPDGFRBPDGFRAGAA
SCHEMBL19685997 0.72 MAPK9 (0.52) EGFRJAK2JAK1JAK3MEN1
SCHEMBL24313077 0.72 HPGD (0.44) HPGDHTR2BGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents CELGENE CORPORATION (US) 2018-07-03 US disclosed
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION 2017-12-07 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-10010555-B2 Animal and human anti-trypanosomonal and anti-leishmania agents TPMT, TYMP, ATIC GRM5 2228/4885MAOB 1403/4885MAOA 1876/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC GRM5 2228/4885MAOB 1403/4885MAOA 1876/4885

“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.