Sugi Predict

Sugi Predict / Compounds / SCHEMBL21923243

SCHEMBL21923243

SCHEMBL21923243

CC(C)(C)c1ccnc(CF)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ACHE P22303 1/20 0.36
▸ AAK1 Q2M2I8 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ADRB2 P07550 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL30947613 0.86 NOS3 (0.37) ALDH1A1MEN1KMT2ANPSR1POLB
SCHEMBL1908532 0.82 POLB (0.46) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL30947610 0.82 NOS3 (0.53) ALDH1A1NPC1RAB9ANOS3NOS2
SCHEMBL18924325 0.81 KIF11 (0.37) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1908511 0.80 KIF11 (0.39) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL4873805 0.80 KIF11 (0.39) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8532984 0.80 KIF11 (0.39) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL10034535 0.80 KIF11 (0.39) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16544502 0.78 KDM4E (0.50) KIF11ALDH1A1MEN1KMT2ANPSR1
SCHEMBL7503838 0.78 CYP2C19 (0.38) KIF11ALDH1A1MEN1KMT2ANPSR1

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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2022-05-05 — — US disclosed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 — — US disclosed
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES REATA PHARMACEUTICALS, INC. (US) 2020-04-30 — — 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-20220135534-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA KIF11 4662/4885ALDH1A1 423/4885MEN1 4404/4885
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA KIF11 4360/4885ALDH1A1 672/4885MEN1 3080/4885
US-20200131148-A1 PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF ROR-GAMMA AND OTHER USES RORC, RORB, RORA KIF11 4662/4885ALDH1A1 423/4885MEN1 4404/4885

“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.