SCHEMBL5558005

SCHEMBL5558005

NC(=O)c1nc2c(s1)-c1c(cnn1-c1ccccc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.41
DRD4 P21917 1/20 0.41
RIPK2 O43353 1/20 0.41
CCNA2 P20248 3/20 0.39
CDK2 P24941 3/20 0.39
CCNA1 P78396 3/20 0.39
AURKA O14965 2/20 0.39
CA1 P00915 2/20 0.38
GRM2 Q14416 1/20 0.37
KMT2A Q03164 2/20 0.36
PDK2 Q15119 1/20 0.35
MAPT P10636 2/20 0.35
CASP1 P29466 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 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
SCHEMBL4510261 0.83 NPC1 (0.42) CA2CA4CA9DRD4RIPK2
SCHEMBL3957289 0.82 CA2 (0.39) CA2CA4CA9DRD4RIPK2
SCHEMBL4520161 0.82 CCNT1 (0.46) CA2CA4CA9DRD4CCNA2
SCHEMBL5556915 0.79 ALDH1A1 (0.41) CA2CA4CA9DRD4CCNA2
SCHEMBL2143831 0.79 PIK3CG (0.46) CA2CA4CA9DRD4CCNA2
SCHEMBL2143777 0.78 NPC1 (0.41) CA2CA4CA9DRD4CCNA2
SCHEMBL11942158 0.77 ALOX5 (0.41) CA2CA4CA9DRD4MAPT
SCHEMBL2143847 0.77 ALDH1A1 (0.41) CA2CA4CA9DRD4KMT2A
SCHEMBL5552478 0.77 ALDH1A1 (0.41) CA2CA4CA9DRD4CCNA2
SCHEMBL5556207 0.76 ALDH1A1 (0.40) CA2CA4CA9DRD4CCNA2

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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US claimed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA CA2 892/4885CA4 1079/4885CA9 697/4885

“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.