SCHEMBL1757776

SCHEMBL1757776

Cc1[nH]c2ccc(Cl)cc2c1-c1nnc(Cl)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.52
ATP4A P20648 2/20 0.46
ATP4B P51164 2/20 0.46
HTR6 P50406 5/20 0.46
MAPT P10636 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR3A P46098 1/20 0.45
LMNA P02545 1/20 0.44
EIF2AK2 P19525 2/20 0.43
CSF1R P07333 1/20 0.43
PTGS2 P35354 2/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MAP2 P11137 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1757957 0.89 LMNA (0.44) MAP3K14HTR6MAPTLMNAPTGS2
SCHEMBL1757888 0.87 LMNA (0.56) ATP4AATP4BHTR6MAPTHTR2A
SCHEMBL1757795 0.87 HTR2A (0.43) MAP3K14HTR6MAPTHTR2AHTR2C
SCHEMBL1757976 0.85 MEN1 (0.49) HTR6MAPTHTR2AHTR2CHTR7
SCHEMBL1757489 0.79 MAP2 (0.41) MAP3K14MAPTLMNAEIF2AK2MAP2
SCHEMBL9269177 0.75 MAP2 (0.62) HTR6MAPTHTR1BHTR2AHTR2C
SCHEMBL1757734 0.70 LMNA (0.69) MAP3K14ATP4AATP4BHTR6MAPT
SCHEMBL1757305 0.69 PTGDR2 (0.34) PTGS2MAP2
SCHEMBL9230649 0.69 EIF2AK2 (0.55) MAP3K14HTR6MAPTHTR1BHTR2A
SCHEMBL10067282 0.68 MAP3K14 (0.50) MAP3K14ATP4AATP4BHTR6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US disclosed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US disclosed
US-7601749-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-10-13 US disclosed
EP-1805171-A4 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-05-13 EP disclosed
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2009-04-30 US disclosed
US-7476667-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-01-13 US disclosed
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2008-10-16 US disclosed
US-7405215-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2008-07-29 US disclosed
EP-1805171-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-07-11 EP disclosed
US-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof ATHERSYS, INC. 2006-05-11 US disclosed
WO-2006034419-A2 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 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 (5 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-20060100425-A1 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof PTGDR2, TBXA2R, HCAR2 MAP3K14 3080/4885ATP4A 4181/4885ATP4B 4567/4885
US-20080255100-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MAP3K14 3080/4885ATP4A 4181/4885ATP4B 4567/4885
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MAP3K14 3080/4885ATP4A 4181/4885ATP4B 4567/4885
US-20090111867-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 MAP3K14 3080/4885ATP4A 4181/4885ATP4B 4567/4885
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 MAP3K14 3258/4885ATP4A 4354/4885ATP4B 4398/4885

“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.