SCHEMBL3103914

SCHEMBL3103914

CCOC(=O)COc1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ AKT1 P31749 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PIK3CA P42336 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL17859828 0.83 AKT1 (0.52) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL17859826 0.79 ALDH1A1 (0.47) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3111972 0.78 KMT2A (0.42) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL3991404 0.76 MAPT (0.51) CYP1A2CYP2C19SMN1; SMN2MAPK1ALDH1A1
SCHEMBL12885400 0.76 KDM4E (0.50) POLBTSHRSMN1; SMN2KDM4EHPGD
SCHEMBL17859827 0.76 POLB (0.43) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3105981 0.75 KMT2A (0.49) TSHRSMN1; SMN2MAPK1KDM4EHPGD
SCHEMBL19494244 0.75 TSHR (0.44) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL21697556 0.73 CYP1A2 (0.43) POLBCYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3990390 0.73 CYP11B2 (0.65) POLBCYP1A2CYP2C9CYP2C19TSHR

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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG POLB 3816/4885CYP1A2 665/4885CYP2C9 3036/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG POLB 3816/4885CYP1A2 665/4885CYP2C9 3036/4885

“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.

Send feedback