SCHEMBL13336325

SCHEMBL13336325

CCn1cc(-c2cc(CN3CCOCC3)cc(Nc3ncc4cc(Br)ccc4n3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.45
SYK P43405 1/20 0.45
ACVR1 Q04771 1/20 0.42
CDK1 P06493 1/20 0.39
KDR P35968 1/20 0.39
IGF1R P08069 4/20 0.39
JUN P05412 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
TYK2 P29597 2/20 0.38
TBK1 Q9UHD2 2/20 0.38
NUAK1 O60285 1/20 0.38
STK16 O75716 1/20 0.38
NTRK1 P04629 1/20 0.38
CSF1R P07333 1/20 0.38
CSNK2A2 P19784 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
ULK3 Q6PHR2 1/20 0.38
BMP2K Q9NSY1 1/20 0.38

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
SCHEMBL13574110 0.91 MAP4K1 (0.46) MAP4K1SYKACVR1CDK1KDR
SCHEMBL13363225 0.90 MAP4K1 (0.45) MAP4K1SYKACVR1CDK1KDR
SCHEMBL13336335 0.88 MAP4K1 (0.43) MAP4K1SYKACVR1CDK1KDR
SCHEMBL13335985 0.85 SYK (0.49) SYKACVR1CDK1KDRTYK2
SCHEMBL1571422 0.83 JUN (0.46) MAP4K1SYKCDK1KDRIGF1R
SCHEMBL13336100 0.82 SYK (0.47) MAP4K1SYKCDK1KDRJUN
SCHEMBL13335988 0.82 SYK (0.47) SYKCDK1KDRMAPK10TYK2
SCHEMBL13336028 0.82 MAP4K1 (0.43) MAP4K1SYKJUNMAPK8MAPK9
SCHEMBL13336326 0.82 SYK (0.50) SYKACVR1CDK1KDRTYK2
SCHEMBL13336192 0.81 MAP4K1 (0.43) MAP4K1SYKKDRJUNMAPK8

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-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 WO 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-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 MAP4K1 112/4885SYK 4070/4885ACVR1 2759/4885

“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.