SCHEMBL968748

SCHEMBL968748

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HPGD P15428 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ THRB P10828 1/20 0.57
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 6/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ GAA P10253 3/20 0.44

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
SCHEMBL968750 0.93 KMT2A (0.52) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL965968 0.91 KMT2A (0.55) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL966531 0.89 MAPT (0.46) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL10327506 0.88 SMN1; SMN2 (0.47) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL3459621 0.88 MAPT (0.45) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL12946823 0.86 MEN1 (0.58) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL10327214 0.86 L3MBTL1 (0.45) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL966073 0.86 SMN1; SMN2 (0.46) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL963934 0.86 KMT2A (0.55) KMT2AMEN1LMNAHPGDSMN1; SMN2
SCHEMBL964265 0.85 KMT2A (0.78) KMT2AMEN1LMNAHPGDSMN1; SMN2

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 10 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 claimed
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — US claimed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US claimed
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — 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-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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