Sugi Predict

Sugi Predict / Compounds / SCHEMBL2002895

SCHEMBL2002895

SCHEMBL2002895

Cc1c(C(=O)c2nnc(-c3cnccn3)o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIEZO1 Q92508 3/20 0.41
▸ LMNA P02545 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2009994 0.93 PIEZO1 (0.41) PIEZO1LMNAMAPTALDH1A1ALOX12
SCHEMBL2003206 0.92 FAAH (0.40) PIEZO1LMNAMAPTALDH1A1ALOX12
SCHEMBL2008181 0.91 LMNA (0.42) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2002968 0.90 PLA2G2A (0.42) PIEZO1LMNAMAPTALDH1A1CYP1A2
SCHEMBL1999996 0.89 KDM4E (0.42) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2001843 0.89 LMNA (0.40) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2004031 0.88 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2002396 0.87 LMNA (0.43) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2003974 0.87 LMNA (0.41) LMNAMAPTALDH1A1ALOX12SMN1; SMN2
SCHEMBL2002255 0.86 MAPK1 (0.48) LMNAMAPTALDH1A1ALOX12SMN1; SMN2

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 PIEZO1 3261/4885LMNA 3450/4885MAPT 997/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT PIEZO1 4871/4885LMNA 4536/4885MAPT 3753/4885

“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.