SCHEMBL3156265

SCHEMBL3156265

CS(=O)(=O)N(CC#N)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 4/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RECQL P46063 2/20 0.37
PSMD14 O00487 1/20 0.37
GFER P55789 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR3C1 P04150 1/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL6327352 0.78 CA9 (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL28547556 0.77 TSHR (0.41) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11239764 0.76 SMN1; SMN2 (0.47) ALDH1A1MAPK1RECQLSMN1; SMN2KMT2A
SCHEMBL2994448 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL3150048 0.74 CYP3A4 (0.42) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL4241968 0.74 SMN1; SMN2 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL7850305 0.72 MMP2 (0.39) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL3146514 0.72 SMN1; SMN2 (0.48) ALDH1A1L3MBTL1SMN1; SMN2KMT2AMEN1
SCHEMBL3157775 0.71 SMN1; SMN2 (0.40) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL3157137 0.70 ALDH1A1 (0.58) ALDH1A1L3MBTL1SMN1; SMN2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
CN-1319090-A Novel substuted indolimones, their preparation process and use as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2001-10-24 CN disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ALDH1A1 2036/4885CYP3A4 441/4885TSHR 503/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ALDH1A1 2838/4885CYP3A4 1179/4885TSHR 3432/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 ALDH1A1 1810/4885CYP3A4 1136/4885TSHR 1247/4885

“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.