Sugi Predict

Sugi Predict / Compounds / SCHEMBL7942597

SCHEMBL7942597

SCHEMBL7942597

O=C(Nc1nn(CCO)c2nc(-c3cnn4ccccc34)c(F)cc12)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ JAK2 O60674 15/20 0.39
▸ JAK1 P23458 15/20 0.39
▸ JAK3 P52333 15/20 0.39
▸ IGF1R P08069 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 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
SCHEMBL7954528 0.90 CCNT1 (0.41) CCNT1CDK9JAK2JAK1JAK3
SCHEMBL13099790 0.87 CCNT1 (0.42) CCNT1CDK9JAK2JAK1JAK3
SCHEMBL13099782 0.86 CCNT1 (0.39) CCNT1CDK9JAK2JAK1JAK3
SCHEMBL8049613 0.85 ATM (0.42) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL7950685 0.85 ALDH1A1 (0.43) JAK2JAK1JAK3CASP1HSD17B10
SCHEMBL8043772 0.83 KDM4E (0.38) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8054923 0.83 RAB9A (0.42) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8037402 0.83 APOBEC3A (0.46) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8043064 0.83 EGFR (0.41) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8043059 0.83 ALDH1A1 (0.39) JAK2JAK1JAK3MEN1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 — — US disclosed
US-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2010-10-07 — — US disclosed
WO-2010027114-A1 USE OF PYRAZOLE-PYRIDINE DERIVATIVES AND ITS SALTS FOR TREATING OR REVENTIN OSTEOPOROSIS CHOONGWAE PHARMA CORPORATION (KR) 2010-03-11 — — WO disclosed
WO-2009038385-A2 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHOONGWAE PHARMA CORPORATION (KR) 2009-03-26 — — WO 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-20100256133-A1 NOVEL COMPOUNDS HAVING INDAZOLE FRAMEWORKS, METHODS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME MAP3K20, MAP3K3, MAP3K1 CCNT1 2221/4885CDK9 87/4885JAK2 329/4885

“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.