SCHEMBL18896337

SCHEMBL18896337

CCC(C)C(C)C(=O)Nc1cccc(C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.51
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
MCHR1 Q99705 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
GRM4 Q14833 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL169662 0.86 KMT2A (0.55) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL12251341 0.86 MAPT (0.57) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL12329974 0.85 KMT2A (0.56) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL12251351 0.84 KMT2A (0.52) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL18896325 0.83 SAE1 (0.49) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL4599032 0.83 MAPT (0.60) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL19592329 0.81 HSD17B10 (0.67) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL18602228 0.80 MAPT (0.57) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL18197715 0.80 MAPT (0.57) KMT2AALDH1A1MAPTMEN1SMN1; SMN2
SCHEMBL31703229 0.80 MAPT (0.57) KMT2AALDH1A1MAPTMEN1SMN1; 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-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-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-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

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-10639310-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KMT2A 780/4885ALDH1A1 3413/4885MAPT 3547/4885
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KMT2A 780/4885ALDH1A1 3413/4885MAPT 3547/4885
US-20190125750-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KMT2A 780/4885ALDH1A1 3413/4885MAPT 3547/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 KMT2A 780/4885ALDH1A1 3413/4885MAPT 3547/4885

“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.