SCHEMBL21326713

SCHEMBL21326713

CC1(C)Cc2cc([N+](=O)[O-])c(N3CCNCC3)nc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ MAPT P10636 6/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRB1 P08588 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
Hydrochloric Acid SCHEMBL21326724 0.99 DPP4 (0.39) DPP4MAPTHTR6POLBRECQL
SCHEMBL21326682 0.87 CYP1A2 (0.48) MAPTPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL21326647 0.84 IRAK4 (0.38) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL21326690 0.83 IRAK4 (0.50) ALDH1A1HTT
SCHEMBL29773991 0.82 IRAK4 (0.37) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL23093807 0.81 CYP1A2 (0.43) MAPTALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL21326657 0.81 IRAK4 (0.50) MAPTPOLBALDH1A1CYP2C19SMN1; SMN2
SCHEMBL21326652 0.80 IRAK4 (0.51) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL21326605 0.80 IRAK4 (0.50) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL29773924 0.80 IRAK4 (0.50) MAPTALDH1A1SMN1; SMN2LMNAGAA

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-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2022-09-06 — — US disclosed
US-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2020-08-20 — — US disclosed
EP-3535273-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 — — 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 (2 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-20200262845-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 DPP4 314/4885MAPT 2095/4885HTR6 2396/4885
US-11434250-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 DPP4 314/4885MAPT 2095/4885HTR6 2396/4885

“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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