SCHEMBL967784

SCHEMBL967784

CCC(C)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP1A2 P05177 1/20 0.68
POLB P06746 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2C9 P11712 1/20 0.68
RXFP1 Q9HBX9 1/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 2/20 0.57
MAPT P10636 4/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 1/20 0.56
XBP1 P17861 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 2/20 0.53
PSMB5 P28074 1/20 0.53

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
SCHEMBL30977682 0.89 HSD17B10 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19592439 0.89 HSD17B10 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL19592326 0.86 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10731114 0.86 ALDH1A1 (0.68) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL13989327 0.85 HSD17B10 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL5561958 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL31093984 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL10726426 0.84 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL6032242 0.84 SMN1; SMN2 (0.70) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL963688 0.84 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AALDH1A1CYP1A2

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
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-09-03 US disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 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-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 (4 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 SMN1; SMN2 3741/4885MEN1 3406/4885KMT2A 780/4885
US-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MEN1 4049/4885KMT2A 3420/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885MEN1 4049/4885KMT2A 3420/4885
US-10398699-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors JAK3, JAK1, JAK2 SMN1; SMN2 3741/4885MEN1 3406/4885KMT2A 780/4885

“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.