SCHEMBL22857589

SCHEMBL22857589

Nn1c(I)cc2c(Cl)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ SELE P16581 1/20 0.31
▸ VCAM1 P19320 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL22509663 0.78 SELE (0.34) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL17148436 0.78 SELE (0.34) SLC22A12CHEK1PDE4APDE4BPDE4C
SCHEMBL20646662 0.78 SLC22A12 (0.33) SLC22A12CHEK1PDE4APDE4BPDE4C
SCHEMBL17154070 0.71 MAPT (0.48) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL22857603 0.69 LIMK1 (0.37) SLC22A12
SCHEMBL17365918 0.68 ADORA2A (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL15586636 0.68 PDE4A (0.37) SLC22A12PDE4APDE4BPDE4CPDE4D
SCHEMBL18380981 0.66 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL5004901 0.66 SRC (0.41) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL22857600 0.66 HSD17B10 (0.33) SLC22A12

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
US-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2023-12-14 — — US disclosed
US-11541056-B2 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide derivatives NOVARTIS AG (CH) 2023-01-03 — — US disclosed
US-20210251996-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives NOVARTIS AG (CH) 2021-08-19 — — US disclosed
US-20210002285-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives NOVARTIS PHARMA AG (CH) 2021-01-07 — — 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-11541056-B2 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide derivatives PAH, PKD1, REN SLC22A12 1691/4885CHEK1 4577/4885PDE4A 780/4885
US-20230398117-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN SLC22A12 1691/4885CHEK1 4577/4885PDE4A 780/4885
US-20210251996-A1 3-hydroxy-N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)pyrrolidine-1-carboxamide Derivatives PAH, PKD1, REN SLC22A12 1691/4885CHEK1 4577/4885PDE4A 780/4885
US-20210002285-A1 N-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)benzamide Derivatives PAH, PARK7, PKD1 SLC22A12 1328/4885CHEK1 4369/4885PDE4A 387/4885

“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.

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