SCHEMBL1156025

SCHEMBL1156025

CCC(C)n1ccncc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
MARK3 P27448 3/20 0.32
MARK4 Q96L34 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CACNA1B Q00975 1/20 0.32
ACHE P22303 3/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL7605077 0.86 GAA (0.35) ACHE
SCHEMBL30719392 0.82 SMN1; SMN2 (0.40)
SCHEMBL19154958 0.77
SCHEMBL25506085 0.71 TBXAS1 (0.37)
SCHEMBL21459637 0.71 ALDH1A1 (0.38)
SCHEMBL21459640 0.71 ALDH1A1 (0.38)
SCHEMBL2834705 0.69 PLD1 (0.41) CDK4CCND1CCND2CCND3
SCHEMBL27605178 0.68 MC4R (0.34) ADORA2AADORA2BADORA1JAK2JAK1
SCHEMBL2932043 0.67 KMT2A (0.41) ADORA2AADORA2BADORA1
SCHEMBL1149139 0.67 ADORA2A (0.35) CDK4CCND1CCND2CCND3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-6436933-B1 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE STRUCTURAL BIOINFORMATICS INC. 2002-08-20 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BMPR1B 1400/4885BMPR1A 2614/4885TGFBR1 1440/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BMPR1B 1819/4885BMPR1A 2761/4885TGFBR1 2363/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 BMPR1B 1819/4885BMPR1A 2761/4885TGFBR1 2363/4885

“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.