Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002255

SCHEMBL2002255

SCHEMBL2002255

Cc1c(C(=O)c2nnc(-c3ccncc3)o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.48
▸ LMNA P02545 8/20 0.47
▸ PKM P14618 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL2005749 0.94 LMNA (0.45) MAPK1LMNATSHRALDH1A1MAPT
SCHEMBL2004635 0.92 MAPK1 (0.48) MAPK1LMNAPKMTSHRGSK3A
SCHEMBL2004245 0.91 LMNA (0.45) MAPK1LMNAPKMTSHRGSK3A
SCHEMBL2005227 0.91 LMNA (0.41) MAPK1LMNATSHRKMT2AALDH1A1
SCHEMBL2004031 0.91 LMNA (0.41) MAPK1LMNAPKMTSHRKMT2A
SCHEMBL1997617 0.89 PLA2G2A (0.44) MAPK1LMNAPKMTSHRGSK3A
SCHEMBL2002396 0.89 LMNA (0.43) LMNATSHRKMT2AALDH1A1MAPT
SCHEMBL2001843 0.88 LMNA (0.40) MAPK1LMNATSHRKMT2AALDH1A1
SCHEMBL2003530 0.88 MAPK1 (0.45) MAPK1LMNAPKMTSHRGSK3A
SCHEMBL2002954 0.88 LMNA (0.54) MAPK1LMNAPKMTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 — — US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 — — EP disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 — — 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 MAPK1 2437/4885LMNA 3450/4885PKM 2180/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT MAPK1 4420/4885LMNA 4536/4885PKM 4518/4885

“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.