SCHEMBL29540652

SCHEMBL29540652

O=[N+]([O-])c1ccc(-c2cnn(-c3ccnc4[nH]ccc34)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
GRM4 Q14833 1/20 0.46
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
TPX2 Q9ULW0 1/20 0.42
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
TTBK1 Q5TCY1 2/20 0.39
TTBK2 Q6IQ55 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CHEK1 O14757 3/20 0.38
ATR Q13535 3/20 0.38
PIK3CA P42336 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL101409 1.00 PRKCI (0.56) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4087921 0.91 PRKCI (0.47) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL102324 0.87 PRKCI (0.52) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29540366 0.87 PRKCI (0.52) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL16673739 0.84 PRKCI (0.62) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL100052 0.82 PRKCI (0.62) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL99830 0.82 PRKCI (0.62) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL29541092 0.82 PRKCI (0.65) PRKCIGRM4AURKAAURKBINCENP
SCHEMBL101483 0.82 PRKCI (0.65) PRKCIGRM4AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL4086259 0.80 PRKCI (0.44) PRKCIGRM4MAPTALDH1A1PDE3B

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 3 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-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 PRKCI 304/4885GRM4 2958/4885AURKA 485/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885AURKA 485/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PRKCI 304/4885GRM4 2958/4885AURKA 485/4885

“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.