Sugi Predict

Sugi Predict / Compounds / SCHEMBL2300044

SCHEMBL2300044

SCHEMBL2300044

CCCCCn1c(O)nc2ncc(Cl)c(-c3ccc(CN(C)C)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ INCENP Q9NQS7 2/20 0.38
▸ TPX2 Q9ULW0 2/20 0.38
▸ MELK Q14680 6/20 0.35
▸ TSHR P16473 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ TLR7 Q9NYK1 4/20 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
SCHEMBL2299251 0.89 AURKA (0.42) AURKAAURKBINCENPTPX2TSHR
SCHEMBL3399430 0.89 GCGR (0.33) SMN1; SMN2PIM1PIM3PIM2TLR7
SCHEMBL2298208 0.88 TLR8 (0.34) AURKASMN1; SMN2TLR7TLR8
SCHEMBL2300694 0.87 TLR8 (0.39) MEN1ALDH1A1KMT2ATLR8
SCHEMBL2299677 0.87 ESR1 (0.38) SMN1; SMN2MEN1ALDH1A1KMT2AMAPK1
SCHEMBL3399600 0.87 HSD11B1 (0.34) TSHRSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL2297571 0.86 TLR8 (0.37) LMNATLR8
SCHEMBL2300163 0.86 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL2299443 0.85 TLR8 (0.38) GLATLR8
SCHEMBL2298814 0.85 KDM4E (0.42) TSHRALDH1A1TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US claimed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP claimed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US claimed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO claimed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 AURKA 3816/4885AURKB 3789/4885INCENP 4707/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 AURKA 3832/4885AURKB 3826/4885INCENP 4687/4885

“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.