SCHEMBL21293732

SCHEMBL21293732

NC(=O)/C=C/c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 2/20 0.33
TAB1 Q15750 2/20 0.33
PTPN1 P18031 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PLIN1 O60240 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
F3 P13726 1/20 0.31

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
SCHEMBL21293618 0.89 HCAR2 (0.40) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL8387805 0.78 TRPA1 (0.38) ALDH1A1LMNACYP11B1CYP11B2
SCHEMBL8387811 0.78 TRPA1 (0.38) ALDH1A1LMNACYP11B1CYP11B2
SCHEMBL5322803 0.77 CYP11B1 (0.36) ALDH1A1CYP11B1CYP11B2
SCHEMBL8386856 0.77 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL8386858 0.77 CYP11B1 (0.32) CYP11B1CYP11B2
SCHEMBL23531974 0.76 MAPT (0.38) SMN1; SMN2PKMMAPTKMT2AALDH1A1
SCHEMBL21293400 0.76 CYP11B1 (0.31) SMN1; SMN2MAPTLMNACYP11B1CYP11B2
SCHEMBL21293396 0.76 CYP11B1 (0.31) SMN1; SMN2MAPTLMNACYP11B1CYP11B2
SCHEMBL8386884 0.74 CYP11B1 (0.32) CYP11B1CYP11B2

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 MAP3K7 2904/4885TAB1 3409/4885PTPN1 490/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA MAP3K7 2904/4885TAB1 3409/4885PTPN1 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.