SCHEMBL1044222

SCHEMBL1044222

COc1ccccc1-c1cnc(Nc2ccccc2)c2c(=O)[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 4/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
ZAP70 P43403 2/20 0.45
GSK3B P49841 1/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TTBK1 Q5TCY1 2/20 0.43
TTBK2 Q6IQ55 2/20 0.43
EGFR P00533 2/20 0.43
STK10 O94804 1/20 0.42

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
SCHEMBL1049280 0.83 MAPT (0.49) LMNAZAP70GSK3BALDH1A1TTBK1
SCHEMBL1048572 0.83 ZAP70 (0.45) ZAP70GSK3BCLK4TTBK1TTBK2
SCHEMBL1049635 0.82 ZAP70 (0.53) ZAP70GSK3BCLK4TTBK1TTBK2
SCHEMBL1050006 0.81 BTK (0.56) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1048942 0.80 ZAP70 (0.48) LMNAZAP70ALDH1A1TTBK1TTBK2
SCHEMBL1048999 0.78 ZAP70 (0.49) ZAP70GSK3BCLK4TTBK1TTBK2
SCHEMBL1043299 0.77 JAK2 (0.49) ZAP70GSK3BTTBK1TTBK2BRD4
SCHEMBL27806170 0.77 ZAP70 (0.51) LMNACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL1049397 0.76 NUDT1 (0.48) LMNACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL1045612 0.76 ZAP70 (0.73) ZAP70BRD4KDRJAK2

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-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US claimed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US claimed
US-8546370-B2 Compounds and compositions as kinase inhibitors IRM LLC (BM) 2013-10-01 US disclosed
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed
US-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2011-01-06 US disclosed
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 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-20110003798-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS FYN, SYK, RET LMNA 2865/4885CYP1A2 3670/4885CYP3A4 4175/4885

“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.