SCHEMBL15622271

SCHEMBL15622271

COc1cccc(-c2n[nH]c3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.60
ITK Q08881 3/20 0.59
TTK P33981 3/20 0.59
IDO1 P14902 3/20 0.59
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
ALPL P05186 1/20 0.59
HPGD P15428 1/20 0.59
MAPK10 P53779 1/20 0.59
MAPK1 P28482 1/20 0.55
MAP2K4 P45985 1/20 0.55
MAPKAPK3 Q16644 1/20 0.55
MAPK6 Q16659 1/20 0.55
NR1I2 O75469 1/20 0.53
CYP1A2 P05177 1/20 0.53
VDR P11473 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
AHR P35869 1/20 0.53

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
SCHEMBL11683337 0.86 GAA (0.55) AURKAITKTTKGAAALDH1A1
SCHEMBL12318102 0.85 ITK (0.67) AURKAITKTTKIDO1GAA
SCHEMBL5516414 0.84 MKNK1 (0.62) ITKTTKIDO1GAAKDM4E
SCHEMBL5772763 0.83 CYP19A1 (0.57) ITKKDM4EALDH1A1HPGDMAPK1
SCHEMBL29644121 0.82 TTK (0.60) AURKAITKTTKGAAALDH1A1
SCHEMBL31760855 0.82 KDM4E (0.65) AURKAITKTTKIDO1GAA
SCHEMBL4199525 0.82 KDM4E (0.65) AURKAITKTTKIDO1GAA
SCHEMBL5769801 0.82 ITK (0.48) AURKAITKTTKIDO1GAA
SCHEMBL5952893 0.82 FGFR1 (0.57) AURKAITKKDM4ENR1I2CYP1A2
Hydrochloric Acid SCHEMBL6371079 0.81 AXL (0.56) AURKATTKGAAALDH1A1MAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-9738610-B2 Indazole derivatives and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-08-22 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
US-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-10 US disclosed
WO-2014047662-A2 INDAZOLE DERIVATIVES AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2014-03-27 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 (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-20150353503-A1 INDAZOLE DERIVATIVES AND USES THEREOF CYP11B1, HSP90B1, CYP1B1 AURKA 679/4885ITK 2288/4885TTK 778/4885

“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.