SCHEMBL4295405

SCHEMBL4295405

Cc1cc(Nc2cncc(Nc3ccc(C)c(NC(=O)N4CCCC4)c3)n2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.45
BCR P11274 1/20 0.45
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
AURKA O14965 7/20 0.43
AURKB Q96GD4 3/20 0.43
RIPK1 Q13546 2/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL4180135 0.93 AURKA (0.47) ABL1BCRAURKAAURKBRIPK1
SCHEMBL4299661 0.92 AURKA (0.46) ABL1RAB9AAURKAAURKBRIPK1
SCHEMBL4169636 0.85 KDR (0.50) AURKAAURKBJAK2JAK3
SCHEMBL4166637 0.83 JAK2 (0.44) AURKAAURKBJAK2JAK3
SCHEMBL4013428 0.83 JAK2 (0.44) AURKAAURKBJAK2JAK3
SCHEMBL4176741 0.83 AURKA (0.49) ABL1BCRAURKAAURKBRIPK1
SCHEMBL4169270 0.82 JAK2 (0.46) ABL1AURKAAURKBJAK2JAK3
SCHEMBL4018379 0.82 AURKA (0.50) ABL1BCRAURKAAURKBRIPK1
SCHEMBL4168358 0.82 AURKB (0.43) AURKAAURKBJAK2JAK3ALDH1A1
SCHEMBL4015863 0.82 JAK2 (0.48) RAB9ANPC1AURKAAURKBJAK2

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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US claimed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 ABL1 487/4885BCR 1140/4885RAB9A 2850/4885

“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.