SCHEMBL3321965

SCHEMBL3321965

Cn1cc(-c2c[c]cc(C(N)CCO)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.38
▸ FGFR2 P21802 3/20 0.38
▸ FGFR4 P22455 3/20 0.38
▸ FGFR3 P22607 3/20 0.38
▸ KDR P35968 1/20 0.38
▸ KIT P10721 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ CCL2 P13500 3/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ IRAK4 Q9NWZ3 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
SCHEMBL1570103 0.74 LOXL2 (0.36) MKNK1MKNK2AURKATTKAURKB
SCHEMBL3321969 0.74 LOXL2 (0.36) MKNK1MKNK2AURKATTKAURKB
SCHEMBL1570688 0.72 PRMT5 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1866958 0.72 IRAK1 (0.38) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1570267 0.69 PDK2 (0.47) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL1570185 0.69 MKNK1 (0.57) MKNK1MKNK2AURKATTKAURKB
SCHEMBL1569958 0.67 PDK2 (0.47) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL18239336 0.66 MKNK1 (0.50) MKNK1MKNK2AURKATTKAURKB
SCHEMBL18228546 0.66 MKNK1 (0.50) MKNK1MKNK2AURKATTKAURKB
SCHEMBL1570150 0.66 PIM1 (0.44) AURKATTKAURKBINCENPLOXL2

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 FGFR1 794/4885FGFR2 2150/4885FGFR4 2147/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 FGFR1 236/4885FGFR2 805/4885FGFR4 1024/4885

“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.

Send feedback