SCHEMBL3515055

SCHEMBL3515055

COc1cc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)c(F)cc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PIK3CA P42336 13/20 0.46
PIK3CD O00329 3/20 0.44
PIK3CB P42338 3/20 0.44
PIK3CG P48736 3/20 0.44
MTOR P42345 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
PDE4B Q07343 1/20 0.43
TNF P01375 1/20 0.42
PIK3R1 P27986 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CAMK2D Q13557 1/20 0.41
SIK2 Q9H0K1 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40

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
SCHEMBL3516061 0.96 PDE4B (0.47) LMNAPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3513309 0.91 PIK3CA (0.50) LMNAPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12986447 0.88 TNF (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPDE4B
SCHEMBL3513489 0.88 IKBKB (0.48) LMNAPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514650 0.87 CAMK2D (0.48) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL3513040 0.87 PDE4B (0.52) LMNAPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3514542 0.84 IKBKB (0.53) PIK3CAMTORALDH1A1GAAPDE4B
SCHEMBL3514034 0.84 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGKDM4E
SCHEMBL3516403 0.83 MKNK1 (0.51) PIK3CAKDM4EALDH1A1GLAGAA
SCHEMBL3515987 0.83 CAMK2D (0.52) PIK3CATNFCAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US claimed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A LMNA 4734/4885PIK3CA 10/4885PIK3CD 12/4885

“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.