SCHEMBL13336174

SCHEMBL13336174

CC1CN(Cc2cc(Nc3ncc4cc(Br)ccc4n3)cc(-c3cnn(C)c3)c2)CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 6/20 0.45
▸ CCNC P24863 1/20 0.44
▸ CDK8 P49336 1/20 0.44
▸ WNT1 P04628 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ MAP4K1 Q92918 4/20 0.42
▸ MAP4K3 Q8IVH8 1/20 0.42
▸ TTK P33981 2/20 0.42
▸ JUN P05412 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ LRRK2 Q5S007 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ NR1I2 O75469 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ FGFR1 P11362 1/20 0.35

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
SCHEMBL13336142 0.91 TTK (0.44) GRM2CCNCCDK8WNT1GSK3B
SCHEMBL1570714 0.90 WNT1 (0.41) GRM2CCNCCDK8WNT1GSK3B
SCHEMBL13336181 0.89 GRM2 (0.43) GRM2CCNCCDK8WNT1GSK3B
SCHEMBL13336180 0.86 MAP4K1 (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL1570584 0.86 MAP4K1 (0.44) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL13336330 0.85 MAP4K1 (0.44) MAP4K1MAP4K3TTKJUNMAPK8
SCHEMBL13336028 0.85 MAP4K1 (0.43) WNT1GSK3BDYRK1AMAP4K1MAP4K3
SCHEMBL13336145 0.84 GRM2 (0.45) GRM2WNT1GSK3BDYRK1AMAP4K1
SCHEMBL1571422 0.83 JUN (0.46) WNT1GSK3BDYRK1AMAP4K1MAP4K3
SCHEMBL13336164 0.82 GRM2 (0.42) GRM2CCNCCDK8WNT1GSK3B

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
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 (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 GRM2 2795/4885CCNC 90/4885CDK8 29/4885

“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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