SCHEMBL3111972

SCHEMBL3111972

CC(C)(O)COc1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PIK3CA P42336 2/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ATRIP Q8WXE1 1/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ BCL6 P41182 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ATM Q13315 1/20 0.38

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
SCHEMBL3110537 0.85 PIK3CA (0.45) KMT2AMEN1SMN1; SMN2MAPK1PIK3CA
SCHEMBL3114468 0.85 PIK3CA (0.43) KMT2AMEN1SMN1; SMN2MAPK1PIK3CA
SCHEMBL3108193 0.82 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2MAPK1PIK3CA
SCHEMBL3991404 0.78 MAPT (0.51) KMT2AMEN1SMN1; SMN2MAPK1PIK3CA
SCHEMBL3103914 0.78 POLB (0.63) KMT2AMEN1SMN1; SMN2MAPK1PIK3CA
SCHEMBL3105981 0.77 KMT2A (0.49) KMT2ASMN1; SMN2MAPK1PIK3CAPIK3R1
SCHEMBL3115454 0.76 PIK3CA (0.39) KMT2AMEN1SMN1; SMN2PIK3CAPIK3R1
SCHEMBL22488304 0.76 ATR (0.47) KMT2ASMN1; SMN2PIK3CAATRATRIP
SCHEMBL17859911 0.76 KMT2A (0.47) KMT2AMEN1PIK3CAPIK3R1CYP1A2
SCHEMBL23275144 0.75 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2PIK3CAALDH1A1

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 KMT2A 3672/4885MEN1 4303/4885SMN1; SMN2 4828/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMT2A 3672/4885MEN1 4303/4885SMN1; SMN2 4828/4885

“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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