Sugi Predict

Sugi Predict / Compounds / SCHEMBL21293423

SCHEMBL21293423

SCHEMBL21293423

ClCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.36
▸ CYP11B2 P19099 2/20 0.36
▸ KCNN4 O15554 2/20 0.33
▸ KCNA3 P22001 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TRPM2 O94759 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP17A1 P05093 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
SCHEMBL689517 0.83 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3AURKA
SCHEMBL8390628 0.83 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3AURKA
SCHEMBL23532128 0.83 CYP11B1 (0.36) CYP11B1CYP11B2KCNN4KCNA3AURKA
SCHEMBL28988475 0.80 TAAR1 (0.34) CYP11B1CYP11B2HTR2AHRH1SMN1; SMN2
SCHEMBL27469137 0.80 TDP1 (0.34) CYP11B1CYP11B2TDP1
SCHEMBL7980823 0.80 TDP1 (0.34) CYP11B1CYP11B2SMN1; SMN2TDP1
SCHEMBL13141045 0.79 IDO1 (0.36) CYP11B1CYP11B2
SCHEMBL21293711 0.79 CYP11B1 (0.33) CYP11B1CYP11B2MEN1CYP1A2CYP3A4
SCHEMBL7969401 0.79 AKR1B1 (0.36) CYP11B1CYP11B2TSHRLMNACYP1A2
SCHEMBL27404242 0.79 CYP11B1 (0.33) CYP11B1CYP11B2KCNN4KCNA3AURKA

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-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 — — US disclosed
US-20190328900-A1 ANTIBODY-DRUG CONJUGATES AND THERAPEUTIC METHODS USING THE SAME GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-10-31 — — 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 (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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA CYP11B1 392/4885CYP11B2 491/4885KCNN4 2340/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA CYP11B1 392/4885CYP11B2 491/4885KCNN4 2340/4885
US-20190328900-A1 ANTIBODY-DRUG CONJUGATES AND THERAPEUTIC METHODS USING THE SAME CD4, ABCB1, FCGR3B CYP11B1 3029/4885CYP11B2 3541/4885KCNN4 4350/4885

“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.