SCHEMBL19685543

SCHEMBL19685543

CC1(Nc2ncc3nc(Nc4cccc(Cl)c4)[nH]c3n2)CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
MAOB P27338 2/20 0.39
CHEK1 O14757 1/20 0.39
HPGD P15428 2/20 0.38
SYK P43405 1/20 0.38
LMNA P02545 2/20 0.38
EGFR P00533 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CDK1 P06493 1/20 0.37
CDK2 P24941 1/20 0.37
SMG1 Q96Q15 1/20 0.37
CAMK2D Q13557 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
MAOA P21397 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
SCHEMBL19689004 0.92 GRM5 (0.42) GRM5MAOBHPGDSYKEGFR
SCHEMBL19685999 0.92 GRM5 (0.42) GRM5MAOBHPGDSYKEGFR
SCHEMBL29717657 0.87 GRM4 (0.31)
SCHEMBL19685626 0.85 KCNH2 (0.49) HPGDLMNAEGFRUSP2ALDH1A1
SCHEMBL19685979 0.85 BCDIN3D (0.34) TP53CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL19686048 0.82 MAPK1 (0.46) CDK2CNR2CYP3A4CYP2D6CYP2C9
SCHEMBL19686002 0.80 GAA (0.49) GRM5MAOBCHEK1HPGDLMNA
SCHEMBL29717707 0.79 LATS1 (0.39) SYK
SCHEMBL19689055 0.75 SYK (0.40) GRM5MAOBSYKEGFRCDK1
SCHEMBL19665478 0.75 LMNA (0.40) CHEK1HPGDLMNAEGFRUSP2

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 3 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
WO-2017210408-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS CELGENE CORPORATION (US) 2017-12-07 WO 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 1403/4885CHEK1 3528/4885
US-20170348315-A1 ANIMAL AND HUMAN ANTI-TRYPANOSOMONAL AND ANTI-LEISHMANIA AGENTS TPMT, TYMP, ATIC GRM5 2228/4885MAOB 1403/4885CHEK1 3528/4885

“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.