SCHEMBL13099790

SCHEMBL13099790

O=C(Nc1nn(C(=O)C2CCCC2)c2nc(-c3cnn4ccccc34)c(F)cc12)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CAMKK1 Q8N5S9 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
JAK2 O60674 11/20 0.38
JAK1 P23458 11/20 0.38
JAK3 P52333 11/20 0.38
EPHB3 P54753 1/20 0.37
IGF1R P08069 5/20 0.37
CDK2 P24941 3/20 0.37
KCNH2 Q12809 3/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL7942597 0.87 CCNT1 (0.40) CCNT1CDK9CAMKK1CAMKK2JAK2
SCHEMBL7954528 0.83 CCNT1 (0.41) CCNT1CDK9JAK2JAK1JAK3
SCHEMBL8043844 0.83 GSK3A (0.54) CCNT1CDK9CAMKK1CAMKK2CDK2
SCHEMBL13099806 0.81 KCNQ3 (0.43) CAMKK1CAMKK2JAK2JAK1JAK3
SCHEMBL13099782 0.80 CCNT1 (0.39) CCNT1CDK9JAK2JAK1JAK3
SCHEMBL8043843 0.79 GSK3A (0.58) CDK2ADORA2AADORA1
SCHEMBL8043772 0.77 KDM4E (0.38) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL7950686 0.73 KDM4E (0.38) JAK2JAK1JAK3IGF1RKCNH2
SCHEMBL8049613 0.71 ATM (0.42) JAK2JAK1JAK3EPHB3IGF1R
SCHEMBL7950685 0.71 ALDH1A1 (0.43) JAK2JAK1JAK3EPHB3ADORA1

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 2 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

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 87/4885CAMKK1 65/4885

“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.