SCHEMBL632181

SCHEMBL632181

COc1ccccc1Nc1sc(C(=O)c2ccccc2)c(N)c1C#N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 7/20 0.68
GAA P10253 1/20 0.68
LMNA P02545 8/20 0.68
HPGD P15428 3/20 0.65
HTT P42858 2/20 0.65
MAPK1 P28482 1/20 0.65
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.56
ALOX12 P18054 1/20 0.56
KMT2A Q03164 1/20 0.56
MELK Q14680 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.52
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL4480170 0.93 ALDH1A1 (0.70) MAPTALDH1A1GAALMNAHPGD
SCHEMBL3836358 0.85 MAPT (0.56) MAPTALDH1A1GAALMNAHPGD
SCHEMBL4473381 0.83 ALDH1A1 (0.80) MAPTALDH1A1GAALMNAHPGD
SCHEMBL27862946 0.83 MAPT (0.76) MAPTALDH1A1GAALMNAHPGD
SCHEMBL2136562 0.83 MELK (0.66) MAPTALDH1A1GAALMNAHPGD
SCHEMBL4496937 0.81 MAPT (0.80) MAPTALDH1A1GAALMNAHPGD
SCHEMBL632022 0.81 ALDH1A1 (1.00) MAPTALDH1A1GAALMNAHPGD
SCHEMBL4520324 0.81 LMNA (0.50) MAPTALDH1A1GAALMNAHPGD
SCHEMBL4476409 0.80 ALDH1A1 (0.77) MAPTALDH1A1GAALMNAHPGD
SCHEMBL2131526 0.78 MELK (0.56) MAPTALDH1A1GAALMNAHPGD

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-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8410163-B2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2013-04-02 US disclosed
US-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TELIK INC. (US) 2012-04-26 US disclosed
EP-2419424-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors Telik, Inc. (US) 2012-02-22 EP disclosed
WO-2010120400-A2 Substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carbonitriles and substituted 4-amino-5-benzoyl-2-(phenylamino)thiophene-3-carboxamides as tubulin polymerization inhibitors TELIK, INC. (US) 2010-10-21 WO disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
CN-101031293-A Pde4b inhibitors and uses therefor PLEXXIKON INC (US) 2007-09-05 CN disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 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 (3 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-20120101286-A1 SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBONITRILES AND SUBSTITUTED 4-AMINO-5-BENZOYL-2-(PHENYLAMINO)THIOPHENE-3-CARBOXAMIDES AS TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB4A, TUBB MAPT 37/4885ALDH1A1 2184/4885GAA 2465/4885
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885

“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.