SCHEMBL10143895

SCHEMBL10143895

CC(=N)c1ccc2sc(C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.39
▸ DYRK1B Q9Y463 4/20 0.39
▸ CLK1 P49759 3/20 0.39
▸ HSD17B1 P14061 1/20 0.37
▸ F9 P00740 4/20 0.35
▸ F10 P00742 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HDAC1 Q13547 4/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33

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
SCHEMBL8148280 0.81 HDAC6 (0.41) DYRK1ADYRK1BCLK1HSD17B1F10
SCHEMBL6299629 0.78 SMN1; SMN2 (0.57) DYRK1ADYRK1BCLK1HSD17B1NPC1
SCHEMBL19554202 0.76 DYRK1A (0.41) DYRK1ADYRK1BCLK1HSD17B1NPC1
SCHEMBL14943039 0.76 NPC1 (0.37) DYRK1ADYRK1BCLK1HSD17B1NPC1
SCHEMBL6299396 0.74 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL10314836 0.73 HDAC6 (0.37) DYRK1ADYRK1BCLK1HSD17B1NPC1
SCHEMBL11827 0.72 DYRK1A (0.56) DYRK1ADYRK1BCLK1HSD17B1
SCHEMBL144441 0.71 CYP2A6 (0.57) DYRK1ARAB9ASMN1; SMN2HDAC1HDAC6
SCHEMBL13032437 0.71 HPGD (0.38) DYRK1ADYRK1BCLK1HSD17B1HDAC6
SCHEMBL2944163 0.69 RXRA (0.50) NPC1RAB9ASMN1; 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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 — — US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 — — US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 — — US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 — — US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 — — US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 — — US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 — — US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 — — US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 — — US disclosed
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2010-11-25 — — 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 (6 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885
US-20100298284-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 DYRK1A 4334/4885DYRK1B 4611/4885CLK1 2995/4885

“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.

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