Sugi Predict

Sugi Predict / Compounds / SCHEMBL12449552

SCHEMBL12449552

SCHEMBL12449552

CC(C)(C)c1cccc(-c2cnc(N)nc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 5/20 0.59
▸ KIF11 P52732 1/20 0.56
▸ RXRA P19793 2/20 0.46
▸ RXRB P28702 2/20 0.46
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALOX5AP P20292 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTAFR P25105 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FEN1 P39748 1/20 0.39

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
SCHEMBL25451017 0.84 KIF11 (0.58) MAP4K4KIF11RXRARXRBGAA
SCHEMBL12253728 0.83 MAP4K4 (0.62) MAP4K4KIF11RXRARXRBATM
SCHEMBL29711705 0.83 MAP4K4 (0.62) MAP4K4KIF11RXRARXRBATM
SCHEMBL5318644 0.82 ADORA2A (0.60) MAP4K4ADORA2AADORA1GAAALDH1A1
SCHEMBL30023786 0.80 KIF11 (0.72) KIF11RXRARXRBALDH1A1L3MBTL1
SCHEMBL5547288 0.80 KIF11 (0.72) KIF11RXRARXRBALDH1A1L3MBTL1
SCHEMBL16903671 0.79 KIF11 (0.53) KIF11RXRARXRBGAAALDH1A1
SCHEMBL25094770 0.79 PIK3CA (0.43) MAP4K4KIF11
SCHEMBL27659191 0.78 KIF11 (0.76) KIF11RXRARXRBALDH1A1
SCHEMBL15394540 0.78 KIF11 (0.65) KIF11RXRARXRBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 — — US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 — — US disclosed
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 — — 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 (4 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF MAP4K4 164/4885KIF11 3998/4885RXRA 2426/4885
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA MAP4K4 200/4885KIF11 3588/4885RXRA 4513/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 MAP4K4 183/4885KIF11 4463/4885RXRA 2624/4885
US-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MAP4K4 3223/4885KIF11 4233/4885RXRA 1639/4885

“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.