SCHEMBL5066520

SCHEMBL5066520

CC(C)n1ncc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.42
NR4A3 Q92570 1/20 0.41
KMT2A Q03164 1/20 0.40
LDHA P00338 1/20 0.40
KDM4C Q9H3R0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
DHODH Q02127 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAP2K1 Q02750 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL15750475 0.86 KDM4E (0.50) KDM4EALDH1A1KMT2AKDM4CMAPT
SCHEMBL3491684 0.80 ALDH1A1 (0.45) KDM4EALDH1A1NR4A3KMT2AKDM4C
SCHEMBL5757876 0.79 RET (0.44) KDM4EALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL826906 0.78 ROCK1 (0.49) KDM4EALDH1A1NR4A3LDHADHODH
SCHEMBL23399704 0.78 HTR2A (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C19HTR2A
SCHEMBL21135430 0.78 HTR2A (0.42) KDM4EALDH1A1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27217102 0.75 HTR2A (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL825819 0.74 ALDH1A1 (0.45) KDM4EALDH1A1NR4A3LDHAKDM4C
SCHEMBL574416 0.74 KDM4E (0.49) KDM4EALDH1A1NR4A3KMT2AKDM4C
SCHEMBL4497271 0.73 ALDH1A1 (0.65) ALDH1A1NR4A3KMT2ASMN1; SMN2L3MBTL1

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
EP-2481736-A1 Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases Deciphera Pharmaceuticals, LLC. (US) 2012-08-01 EP disclosed
CN-101878031-A The inhibitors of kinases that is used for the treatment of myeloproliferative disease and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC 2010-11-03 CN disclosed
US-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 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-20080269267-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES BRAF, RET, KIT KDM4E 1017/4885ALDH1A1 1743/4885NR4A3 2447/4885

“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.