Sugi Predict

Sugi Predict / Compounds / SCHEMBL758986

SCHEMBL758986

SCHEMBL758986

Cc1cnc(NC(C)(C)C)nc1Nc1ccc(F)c2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 3/20 0.41
▸ EIF2AK3 Q9NZJ5 2/20 0.41
▸ MAPK3 P27361 1/20 0.35
▸ AURKA O14965 2/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ PTK6 Q13882 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CYP2C8 P10632 2/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ STK17A Q9UEE5 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ RAF1 P04049 1/20 0.32

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
SCHEMBL12320595 0.84 BRAF (0.39) BRAFEIF2AK3AURKAPTK2STK17A
SCHEMBL270790 0.84 TGFBR1 (0.37) MAPK3AURKACYP3A4JAK2JAK1
SCHEMBL270664 0.80 PIK3CA (0.48) BRAFRAF1
SCHEMBL270659 0.76 SYK (0.37) MAPK3AURKAJAK2JAK1TGFBR1
SCHEMBL12111062 0.74 STK17A (0.35) AURKACYP3A4JAK2JAK1JAK3
SCHEMBL270500 0.73 AXL (0.36) MAPK3AURKAJAK1JAK3TGFBR1
SCHEMBL12320947 0.73 AURKA (0.34) MAPK3AURKAJAK2JAK1TGFBR1
SCHEMBL30860843 0.73 LRRK2 (0.52) —
SCHEMBL27227903 0.73 LRRK2 (0.52) —
SCHEMBL270620 0.72 ULK1 (0.54) MAPK3AURKACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 — — US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 — — US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 — — US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 — — 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-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 BRAF 40/4885EIF2AK3 1163/4885MAPK3 122/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 BRAF 40/4885EIF2AK3 1163/4885MAPK3 122/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B BRAF 3196/4885EIF2AK3 1988/4885MAPK3 1819/4885

“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.