SCHEMBL3490960

SCHEMBL3490960

COC(=O)c1cc2c(ccc3[nH]ccc32)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
CYP1A2 P05177 2/20 0.46
ABL1 P00519 2/20 0.46
XDH P47989 2/20 0.45
ULK1 O75385 1/20 0.45
KIF11 P52732 2/20 0.44
NR4A2 P43354 4/20 0.43
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43

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
SCHEMBL29619548 1.00 PIM1 (0.49) PIM1PIM3CYP1A2ABL1XDH
SCHEMBL14356133 0.82 KIF11 (0.43) PIM1PIM3KIF11KDM4EALDH1A1
SCHEMBL4811157 0.81 XDH (0.46) PIM1PIM3CYP1A2ABL1XDH
SCHEMBL30418722 0.81 XDH (0.46) PIM1PIM3CYP1A2ABL1XDH
SCHEMBL4661897 0.80 KDM4E (0.58) CYP1A2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3938839 0.79 ALDH1A1 (0.41) PIM1PIM3CYP1A2KDM4EALDH1A1
SCHEMBL5567512 0.77 KDM4E (0.68) CYP1A2XDHKIF11NR4A2GABRP
SCHEMBL3606511 0.76 RAB9A (0.50) CYP1A2XDHULK1KIF11NR4A2
SCHEMBL30039640 0.75 HRH4 (0.56) CYP1A2XDHULK1KIF11NR4A2
SCHEMBL19331400 0.75 HRH4 (0.56) CYP1A2XDHULK1KIF11NR4A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN claimed
CN-114181216-A Preparation method of 3, 6-dihydropyrrolo [3,2-e ] indole-2-methyl formate 苏州新药篮生物医药科技有限公司 2022-03-15 CN disclosed
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
EP-2121667-B1 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF SQUIBB & SONS LLC (US) 2016-06-08 EP disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8664407-B2 Chemical linkers with single amino acids and conjugates thereof Medarex, LLC (US) 2014-03-04 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
US-8461117-B2 Chemical linkers and cleavable substrates and conjugates thereof MEDAREX, INC. (US) 2013-06-11 US disclosed
EP-2121667-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF Medarex Inc. (US) 2009-11-25 EP disclosed
EP-2114454-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF Medarex, Inc. (US) 2009-11-11 EP disclosed
WO-2008103693-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-08-28 WO disclosed
WO-2008103693-A2 CHEMICAL LINKERS WITH SINGLE AMINO ACIDS AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-08-28 WO disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 WO disclosed
US-7297495-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2007-11-20 US disclosed
US-7297495-B2 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES, INC. (US) 2007-11-20 US disclosed
US-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES INC. (US) 2007-07-19 US disclosed
US-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids EPOCH BIOSCIENCES INC. (US) 2007-07-19 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-20070166723-A1 Hybridization-triggered fluorescent detection of nucleic acids DDX21, RNGTT, NOP2 PIM1 2814/4885PIM3 2247/4885CYP1A2 4788/4885

“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.