SCHEMBL21293520

SCHEMBL21293520

O=P(O)(O)Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.37
PGK2 P07205 3/20 0.37
PTPN1 P18031 1/20 0.35
ACP3 P15309 2/20 0.35
FDPS P14324 3/20 0.35
GGPS1 O95749 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
SRC P12931 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL689517 0.80 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL7969401 0.79 AKR1B1 (0.36) CYP11B1CYP11B2
SCHEMBL9541630 0.78 CTNNB1 (0.34) PTPN1FDPSSMN1; SMN2
SCHEMBL7980823 0.77 TDP1 (0.34) SMN1; SMN2CYP11B1CYP11B2
Diethyl Hydrogen Phosphate SCHEMBL27401534 0.77 ALDH1A1 (0.33) SMN1; SMN2
SCHEMBL27405017 0.77 POLB (0.36) SMN1; SMN2CYP11B1CYP11B2
SCHEMBL688676 0.77 KEAP1 (0.40) SMN1; SMN2
SCHEMBL23532128 0.76 CYP11B1 (0.36) SMN1; SMN2CYP11B1CYP11B2
SCHEMBL21293423 0.76 CYP11B1 (0.36) SMN1; SMN2CYP11B1CYP11B2
SCHEMBL8390628 0.76 CYP11B1 (0.36) SMN1; SMN2CYP11B1CYP11B2

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-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 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 (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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA PGK1 2738/4885PGK2 2057/4885PTPN1 490/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA PGK1 2738/4885PGK2 2057/4885PTPN1 490/4885

“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.