SCHEMBL13839355

SCHEMBL13839355

Cn1cncc1C#Cc1n[nH]c2c(N3CCOCC3)cccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CCNK O75909 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33
▸ CDK12 Q9NYV4 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
SCHEMBL12318031 0.78 PRKDC (0.43) FGFR1PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL13839354 0.78 LRRK2 (0.40) TDP1FGFR1PRKDCPIK3CDPIK3CA
SCHEMBL12619738 0.78 TDP1 (0.40) TDP1HSP90AA1ATMUBE2N
SCHEMBL13839356 0.77 LRRK2 (0.42) TDP1FGFR1MEN1KMT2ALRRK2
SCHEMBL12269735 0.72 TDP1 (0.46) TDP1LRRK2HSP90AA1ATMGAA
SCHEMBL12619743 0.64 AXL (0.44) TDP1MEN1KMT2AHSP90AA1ATM
SCHEMBL12619759 0.64 AXL (0.44) TDP1MEN1KMT2AHSP90AA1ATM
SCHEMBL12269662 0.61 TDP1 (0.38) TDP1KMT2AHSP90AA1GAAKDM4E
SCHEMBL27250002 0.60 ALDH1A1 (0.43) TDP1FGFR1PIK3CAPIK3CBMEN1
SCHEMBL13258495 0.60 NCF1 (0.52) PRKDCMEN1KMT2ANCF1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 TDP1 1233/4885FGFR1 486/4885PRKDC 41/4885

“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.

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