SCHEMBL9921974

SCHEMBL9921974

NC(=O)c1nnc2[nH]ccc2c1Nc1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
MAPT P10636 6/20 0.44
SYK P43405 3/20 0.44
KMT2A Q03164 3/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
POLB P06746 1/20 0.41
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
RAB9A P51151 1/20 0.39
MMP12 P39900 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL9918555 0.89 SYK (0.36) ALDH1A1MAPTSYKKMT2AJAK2
SCHEMBL9921982 0.82 KDM4E (0.44) ALDH1A1SYKJAK1POLBSMN1; SMN2
SCHEMBL9918558 0.80 HTT (0.41) ALDH1A1MAPTKMT2APOLBSMN1; SMN2
SCHEMBL9918562 0.80 SYK (0.47) SYKPOLBHTR1ASLC6A4
SCHEMBL9918557 0.79 LRRK2 (0.33) ALDH1A1SYKJAK1SMN1; SMN2
SCHEMBL9918560 0.74 JAK2 (0.34) SYKJAK2JAK1TYK2
SCHEMBL12833307 0.70 LRRK2 (0.43) MAPTSYK
SCHEMBL9918545 0.69 CSF1R (0.46) ALDH1A1MAPTKMT2APOLBGAA
SCHEMBL10126698 0.69 SYK (0.48) ALDH1A1MAPTSYKKMT2AJAK1
SCHEMBL9921977 0.69 ALDH1A1 (0.47) ALDH1A1MAPTKMT2APOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 1507/4885MAPT 4399/4885SYK 87/4885

“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.