SCHEMBL12045464

SCHEMBL12045464

c1cc(Nc2cc(C3CC3)n[nH]2)nc(Nc2ccc3nc[nH]c3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 4/20 0.54
▸ ULK1 O75385 2/20 0.45
▸ ULK2 Q8IYT8 2/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.44
▸ CDK1 P06493 5/20 0.44
▸ SYK P43405 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ ADRA1D P25100 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ ADRA1B P35368 1/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ WEE1 P30291 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ PAK3 O75914 1/20 0.42
▸ PAK1 Q13153 1/20 0.42
▸ PAK2 Q13177 1/20 0.42
▸ AKT1 P31749 1/20 0.41

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
SCHEMBL21067744 0.92 IGF1R (0.45) IGF1RNEK1CDC7WEE1PAK3
SCHEMBL20438003 0.83 NEK1 (0.67) IGF1RULK1ULK2PDK1NEK1
SCHEMBL2158052 0.82 NEK1 (0.53) IGF1RNEK1CDK1PAK1AKT1
SCHEMBL18901334 0.81 IGF1R (0.53) IGF1RNEK1CDK1AKT1TGFBR1
SCHEMBL12785351 0.81 NEK1 (0.66) IGF1RNEK1CDK1AKT1TGFBR1
SCHEMBL2158172 0.80 NEK1 (0.54) IGF1RNEK1CDK1SYKCCNK
SCHEMBL12437998 0.79 IGF1R (0.50) IGF1RNEK1SYKAKT1TGFBR1
SCHEMBL12785366 0.79 AURKA (0.54) IGF1RNEK1CDK1AKT1TGFBR1
SCHEMBL14050460 0.78 IGF1R (0.50) IGF1RNEK1AKT1TGFBR1GSK3A
SCHEMBL12785317 0.78 AKT1 (0.52) IGF1RNEK1AKT1TGFBR1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382230-B2 Methods and compositions for modulating Ire1, SRC and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-05 — — US disclosed
US-9382230-B2 Methods and compositions for modulating Ire1, SRC and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-05 — — US disclosed
US-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-01-08 — — US disclosed
US-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-01-08 — — US disclosed
US-8815885-B2 Methods and compositions for modulating IRE1, SRC, and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-8815885-B2 Methods and compositions for modulating IRE1, SRC, and ABL activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 — — US disclosed
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-29 — — US disclosed
WO-2010031056-A2 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-18 — — 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-20150011575-A1 METHODS AND COMPOSITIONS FOR MODULATING IRE1, SRC, AND ABL ACTIVITY XBP1, SRC, HSP90B1 IGF1R 2318/4885ULK1 492/4885ULK2 323/4885
US-20110319436-A1 Methods and Compositions for Modulating IRE1, SRC, and ABL Activity XBP1, SRC, HSP90B1 IGF1R 2318/4885ULK1 492/4885ULK2 323/4885

“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.

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