SCHEMBL20173713

SCHEMBL20173713

COC(=O)c1c(C#N)cc(Cl)nc1Nc1ccc2nc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.46
KLKB1 P03952 1/20 0.46
CDK1 P06493 6/20 0.43
QPCT Q16769 2/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
P2RY14 Q15391 1/20 0.41
POLB P06746 1/20 0.40
CDK4 P11802 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CLK1 P49759 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39

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
SCHEMBL1987469 0.81 ALDH1A1 (0.48) KMT2ANPC1RAB9ADYRK1ACLK4
SCHEMBL25397170 0.80 KDM4E (0.47) KMT2ANPC1RAB9A
SCHEMBL20173714 0.79 SYK (0.56) CDK1DYRK1BCLK4SYK
SCHEMBL22475480 0.78 MKNK2 (0.35) KMT2A
SCHEMBL1987971 0.78 GAA (0.43) CDK4
SCHEMBL20178206 0.78 SYK (0.42) CDK1SYKEPHX1
SCHEMBL1986224 0.77 FER (0.46) KMT2ANPC1RAB9A
SCHEMBL1986288 0.76 HPGD (0.39) KMT2A
SCHEMBL1986212 0.75 EGFR (0.44) CDK1KMT2ANPC1RAB9ACDK4
SCHEMBL1985969 0.74 STK4 (0.42) CDK1KMT2ADYRK1BCDK4CLK4

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-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 US disclosed
US-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES CALITHERA BIOSCIENCES, INC. 2018-05-24 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-20180141951-A1 FUSED HETEROAROMATIC PYRROLIDINONES SYK, ZAP70, LYN F11 1556/4885KLKB1 2047/4885CDK1 244/4885

“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.