SCHEMBL965942

SCHEMBL965942

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ PKM P14618 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MAPT P10636 5/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL965944 0.87 KMT2A (0.44) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL12915953 0.86 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10180495 0.85 KMT2A (0.47) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL14421501 0.80 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10181156 0.80 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10180462 0.80 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL963698 0.79 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL964349 0.79 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL10181763 0.79 KMT2A (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD
SCHEMBL3461159 0.79 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2MEN1PKMHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3420/4885SMN1; SMN2 2850/4885MEN1 4049/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR KMT2A 3420/4885SMN1; SMN2 2850/4885MEN1 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.

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