SCHEMBL964843

SCHEMBL964843

CSc1nc(N)nc(SCC(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1C#N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.72
▸ MEN1 O00255 4/20 0.72
▸ KMT2A Q03164 4/20 0.72
▸ THRB P10828 3/20 0.72
▸ PKM P14618 2/20 0.72
▸ LMNA P02545 2/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ALDH1A1 P00352 5/20 0.71
▸ POLB P06746 2/20 0.71
▸ KDM4E B2RXH2 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ CYP2C19 P33261 2/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.71
▸ CYP1A2 P05177 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ IDO1 P14902 1/20 0.55
▸ RXFP1 Q9HBX9 12/20 0.54
▸ MAPT P10636 10/20 0.54
▸ TP53 P04637 6/20 0.54

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
SCHEMBL10327475 0.93 HPGD (0.69) HPGDMEN1KMT2ATHRBPKM
SCHEMBL10327426 0.92 HPGD (0.68) HPGDMEN1KMT2ATHRBPKM
SCHEMBL967863 0.91 HPGD (0.71) HPGDMEN1KMT2ATHRBPKM
SCHEMBL10327559 0.91 HPGD (0.67) HPGDMEN1KMT2ATHRBPKM
SCHEMBL12946986 0.87 HPGD (0.72) HPGDMEN1KMT2ATHRBPKM
SCHEMBL964265 0.85 KMT2A (0.78) HPGDMEN1KMT2ATHRBPKM
SCHEMBL3459968 0.84 MEN1 (0.68) HPGDMEN1KMT2ATHRBPKM
SCHEMBL963515 0.83 ALDH1A1 (1.00) HPGDMEN1KMT2ATHRBPKM
SCHEMBL965666 0.82 HPGD (0.79) HPGDMEN1KMT2ATHRBPKM
SCHEMBL12946835 0.80 ALDH1A1 (0.72) HPGDMEN1KMT2ATHRBPKM

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 12 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
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 — — US claimed
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-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
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 HPGD 2836/4885MEN1 4049/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR HPGD 2836/4885MEN1 4049/4885KMT2A 3420/4885

“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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