SCHEMBL18638045

SCHEMBL18638045

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.78
TAS1R1 Q7RTX1 3/20 0.78
NPSR1 Q6W5P4 1/20 0.70
ALDH1A1 P00352 3/20 0.63
POLB P06746 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPGD P15428 1/20 0.56
CCR2 P41597 2/20 0.55
GPR139 Q6DWJ6 1/20 0.54
CTSL P07711 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
P2RX1 P51575 1/20 0.51
TP53BP1 Q12888 1/20 0.50

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
SCHEMBL18638486 0.89 NPSR1 (0.74) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL703500 0.88 TAS1R3 (1.00) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13753588 0.86 NPSR1 (0.74) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13753648 0.86 NPSR1 (0.65) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL19592327 0.85 TAS1R3 (0.90) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13753283 0.85 NPSR1 (0.72) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13753776 0.85 NPSR1 (0.72) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL21697632 0.85 NPSR1 (0.72) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13257753 0.85 HPGD (0.69) TAS1R3TAS1R1NPSR1ALDH1A1POLB
SCHEMBL13257658 0.85 HPGD (0.69) TAS1R3TAS1R1NPSR1ALDH1A1POLB

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-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 TAS1R3 2424/4885TAS1R1 3175/4885NPSR1 4173/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 TAS1R3 2424/4885TAS1R1 3175/4885NPSR1 4173/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 TAS1R3 2424/4885TAS1R1 3175/4885NPSR1 4173/4885

“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.