SCHEMBL965968

SCHEMBL965968

CSc1nc(N)nc(NCCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ LMNA P02545 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ PKM P14618 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HDAC3 O15379 1/20 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
SCHEMBL968748 0.91 KMT2A (0.57) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL963272 0.86 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL12915953 0.86 SMN1; SMN2 (0.47) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL968750 0.86 KMT2A (0.52) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL963690 0.85 SMN1; SMN2 (0.44) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL10180839 0.85 KMT2A (0.53) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL963584 0.84 HDAC3 (0.42) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL964265 0.84 KMT2A (0.78) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL963700 0.83 KMT2A (0.54) KMT2AMEN1LMNASMN1; SMN2PKM
SCHEMBL964493 0.83 ALDH1A1 (0.51) KMT2AMEN1LMNASMN1; SMN2PKM

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
EP-1678168-A4 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2008-09-24 — — EP disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
EP-1678168-A2 P70S6 KINASE MODULATORS AND METHOD OF USE Exelixis, Inc. (US) 2006-07-12 — — EP disclosed
WO-2005039506-A2 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2005-05-06 — — 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885MEN1 4049/4885LMNA 3817/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885MEN1 4049/4885LMNA 3817/4885

“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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