SCHEMBL29540718

SCHEMBL29540718

FC(F)(F)Oc1cccc(Cn2cc(-c3ccnc4[nH]ccc34)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TPX2 Q9ULW0 1/20 0.47
KCNH2 Q12809 2/20 0.47
GRM4 Q14833 1/20 0.47
TNIK Q9UKE5 2/20 0.46
ROCK2 O75116 3/20 0.46
ABL1 P00519 3/20 0.45
ALK Q9UM73 2/20 0.45
BCR P11274 2/20 0.45
CCNK O75909 3/20 0.45
CDK12 Q9NYV4 3/20 0.45
AKT2 P31751 1/20 0.45
ROCK1 Q13464 2/20 0.44
JAK1 P23458 2/20 0.43

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
SCHEMBL103270 1.00 AURKA (0.47) AURKAAURKBINCENPTPX2KCNH2
Trifluoroacetic Acid SCHEMBL4086708 0.94 JAK1 (0.46) AURKAAURKBINCENPTPX2KCNH2
SCHEMBL101922 0.85 ALK (0.61) AURKAAURKBINCENPTPX2GRM4
SCHEMBL29540625 0.85 ALK (0.61) AURKAAURKBINCENPTPX2GRM4
SCHEMBL20873089 0.82 ABL1 (0.48) KCNH2TNIKROCK2ABL1BCR
SCHEMBL99234 0.81 GRM4 (0.65) AURKAAURKBINCENPTPX2GRM4
SCHEMBL30009527 0.81 GRM4 (0.65) AURKAAURKBINCENPTPX2GRM4
SCHEMBL100073 0.80 GRM4 (0.55) AURKAAURKBINCENPTPX2GRM4
SCHEMBL29540648 0.80 CCNK (0.56) AURKAAURKBINCENPTPX2GRM4
SCHEMBL99955 0.80 CCNK (0.56) AURKAAURKBINCENPTPX2GRM4

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
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
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-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 AURKA 485/4885AURKB 198/4885INCENP 4449/4885

“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.