SCHEMBL964139

SCHEMBL964139

CSc1nc(N)nc([C@](N)(CCCN)C(=O)Nc2cccc(C(F)(F)F)c2)c1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ PKM P14618 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 2/20 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
SCHEMBL967745 0.98 KMT2A (0.47) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL1010086 0.90 KMT2A (0.48) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL1012121 0.90 KMT2A (0.45) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL966062 0.90 MAPT (0.40) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL964841 0.88 KMT2A (0.49) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL965594 0.87 KMT2A (0.43) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10180610 0.87 TRPV4 (0.49) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL5568817 0.85 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2MAPTTP53
SCHEMBL964142 0.84 KMT2A (0.44) KMT2AHPGDMEN1PKMSMN1; SMN2
SCHEMBL10180940 0.83 TRPV4 (0.45) KMT2AHPGDMEN1PKMSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 — — 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-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 3420/4885HPGD 2836/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885HPGD 2836/4885MEN1 4049/4885

“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