SCHEMBL20462622

SCHEMBL20462622

CC(C)C(=O)Nc1cnc(C(C)(C)C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ TP53 P04637 4/20 0.42
▸ CCNE1 P24864 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL20464260 0.89 MAPK1 (0.38) ALDH1A1RAB9ANPC1TP53SMN1; SMN2
SCHEMBL19699546 0.85 SMN1; SMN2 (0.47) ALDH1A1RAB9ANPC1TP53CCNE1
SCHEMBL26764538 0.77 NOTUM (0.46) ALDH1A1RAB9ANPC1TP53CCNE1
SCHEMBL13057030 0.74 FFAR2 (0.58) ALDH1A1RAB9ANPC1TP53CYP2C19
SCHEMBL15000512 0.73 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1TP53CCNE1
SCHEMBL19699499 0.73 SMN1; SMN2 (0.45) ALDH1A1RAB9ANPC1TP53CCNE1
SCHEMBL12690425 0.73 HCAR3 (0.40) RAB9ANPC1KDM4EL3MBTL1MAPT
SCHEMBL9891790 0.72 RAB9A (0.68) ALDH1A1RAB9ANPC1TP53LMNA
SCHEMBL10068186 0.72 XIAP (0.49) ALDH1A1RAB9ATP53CDK2CDK5
SCHEMBL19699500 0.71 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1TP53CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 — — 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 (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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA ALDH1A1 374/4885RAB9A 2135/4885NPC1 2811/4885

“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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