Sugi Predict

Sugi Predict / Compounds / SCHEMBL21847658

SCHEMBL21847658

SCHEMBL21847658

CC(C)Oc1n[nH]cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ XDH P47989 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ TXNRD1 Q16881 1/20 0.33

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
SCHEMBL30067153 0.82 ALDH1A1 (0.32) ADRA2AADRA2BADRA2CTSHRLMNA
SCHEMBL24752110 0.82 ALDH1A1 (0.32) ADRA2AADRA2BADRA2CTSHRLMNA
SCHEMBL20516141 0.81 LMNA (0.33) KDM4ETSHRKMT2ALMNACYP3A4
SCHEMBL29229329 0.79 GRIN2D (0.32) TSHRLMNACYP3A4MAPTGPR35
SCHEMBL672278 0.79 ALDH1A1 (0.42) KDM4EKMT2ALMNACYP3A4L3MBTL1
SCHEMBL18418863 0.74 MAPT (0.42) KMT2ALMNAL3MBTL1SMN1; SMN2MEN1
SCHEMBL17458946 0.73 KDM4E (0.35) KDM4ETSHRLMNASMN1; SMN2NPC1
SCHEMBL10398919 0.73 CYP19A1 (0.36) PDK1KMT2AXDHLMNAL3MBTL1
SCHEMBL27718447 0.73 GPR35 (0.34) KDM4EKMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL20364258 0.72 ALDH1A1 (0.33) KDM4ETSHRKMT2AXDHLMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355748-B1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2026-05-13 — — EP disclosed
US-20240383901-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2024-11-21 — — US disclosed
EP-4355748-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2024-04-24 — — EP disclosed
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 — — CN disclosed
WO-2022263472-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-22 — — WO disclosed
EP-4105218-A1 SUBSTITUTED PYRROLO[2,3-D] PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-21 — — EP disclosed
EP-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 — — EP 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 (1 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-20240383901-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION LRRK2, PARK7, SNCA PDK1 29/4885KDM4E 2365/4885ADRA2A 1713/4885

“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.