SCHEMBL22686226

SCHEMBL22686226

O=Cc1nc(Cl)ccc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.35
▸ XPO1 O14980 6/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ KCNQ3 O43525 1/20 0.32
▸ KCNQ2 O43526 1/20 0.32
▸ KCNE1 P15382 1/20 0.32
▸ KCNQ1 P51787 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KMO O15229 1/20 0.31
▸ GRM2 Q14416 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL20303765 0.74 XPO1 (0.33) KIF11XPO1CYP11B1CYP11B2KCNQ3
SCHEMBL29736642 0.74 HSD17B10 (0.34) CYP3A4TSHRALDH1A1KDM4E
SCHEMBL20268024 0.74 HSD17B10 (0.34) CYP3A4TSHRALDH1A1KDM4E
SCHEMBL29388275 0.73 XPO1 (0.46) XPO1CYP11B1CYP11B2PIK3CDADRB2
SCHEMBL855349 0.73 XPO1 (0.46) XPO1CYP11B1CYP11B2PIK3CDADRB2
SCHEMBL2654910 0.73 CRHBP (0.39) CYP3A4TSHRALDH1A1KDM4EKMT2A
SCHEMBL25411095 0.71 CYP11B2 (0.41) XPO1CYP11B1CYP11B2PIK3CDKCNQ3
SCHEMBL23850283 0.71 XPO1 (0.41) XPO1CYP11B1CYP11B2PIK3CDKCNQ3
SCHEMBL17315652 0.71 ERN1 (0.31) CYP3A4TSHRALDH1A1KDM4EKMT2A
SCHEMBL26635234 0.71 AKR1C3 (0.32) PIK3CDKCNQ3KCNQ2KCNE1KCNQ1

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-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-22 — — US disclosed
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-03-21 — — US disclosed
EP-3737684-B1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2022-11-16 — — EP disclosed
US-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES IDORSIA PHARMACEUTICALS LTD. (CH) 2020-11-26 — — 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-20200369672-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 KIF11 4494/4885XPO1 1687/4885CYP11B1 1504/4885
US-20230192708-A1 2,4,6,7-TETRAHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-5-ONE DERIVATIVES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS FOR TREATING VASCULITIS AND INFLAMMATORY DISEASES C3AR1, C5AR1, C5AR2 KIF11 4494/4885XPO1 1687/4885CYP11B1 1504/4885
US-11608341-B2 Substituted tetrahydropyrazolo[3,4-d]pyrimidines and tetrahydropyrazolo[4,3-d]pyrimidines as C5A receptor modulators C5AR1, C3AR1, C5AR2 KIF11 3922/4885XPO1 975/4885CYP11B1 2377/4885

“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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