SCHEMBL18638486

SCHEMBL18638486

CCC(C)NC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.74
TAS1R3 Q7RTX0 2/20 0.69
TAS1R1 Q7RTX1 2/20 0.69
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
GPR139 Q6DWJ6 1/20 0.56
CTSL P07711 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 2/20 0.55
P2RX1 P51575 1/20 0.54
LMNA P02545 1/20 0.54
CES2 O00748 1/20 0.53
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
TP53BP1 Q12888 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL18638045 0.89 TAS1R3 (0.78) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL13753588 0.89 NPSR1 (0.74) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL21697632 0.87 NPSR1 (0.72) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL13753776 0.87 NPSR1 (0.72) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL13753283 0.87 NPSR1 (0.72) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL7677201 0.86 NPSR1 (0.70) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL7677272 0.86 NPSR1 (0.70) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL12154445 0.85 NPSR1 (1.00) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL13753675 0.85 NPSR1 (0.72) NPSR1TAS1R3TAS1R1ALDH1A1POLB
SCHEMBL13753648 0.83 NPSR1 (0.65) NPSR1TAS1R3TAS1R1ALDH1A1POLB

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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2020-05-05 US disclosed
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2019-05-02 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-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 NPSR1 4173/4885TAS1R3 2424/4885TAS1R1 3175/4885
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 NPSR1 4173/4885TAS1R3 2424/4885TAS1R1 3175/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 NPSR1 4173/4885TAS1R3 2424/4885TAS1R1 3175/4885

“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.