SCHEMBL12266641

SCHEMBL12266641

[C-]#[N+]C(C)(C)c1ccc(-n2nnc3cnc4ccc(-c5cccnc5)cc4c32)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 10/20 0.52
CLK1 P49759 6/20 0.41
DYRK1A Q13627 5/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPK1 P28482 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
PIK3CA P42336 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 1/20 0.38
ATR Q13535 1/20 0.38
KIF11 P52732 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
SCHEMBL2398563 0.85 ATM (0.52) ATMCLK1DYRK1ALMNACYP1A2
SCHEMBL12266637 0.73 LMNA (0.44) ATMLMNACYP1A2CYP3A4CYP2D6
SCHEMBL30275048 0.67 KIF11 (0.43) ATMDYRK1ALMNACYP1A2CYP3A4
SCHEMBL30275047 0.67 KIF11 (0.44) ATMDYRK1ALMNACYP1A2CYP3A4
SCHEMBL27645746 0.66 PIK3CA (0.53) ATMCLK4PIK3CAATR
SCHEMBL11885769 0.65 PIK3CA (0.64) ATMPIK3CAATR
SCHEMBL11885767 0.65 PIK3CA (0.66) ATMCLK4PIK3CAATR
SCHEMBL930563 0.64 PIK3CA (0.76) ATMCLK1DYRK1ACLK4PIK3CA
SCHEMBL1558995 0.64 IP6K1 (0.41) ATMDYRK1ALMNACYP1A2CYP3A4
SCHEMBL1559281 0.64 MTOR (0.43) ATMLMNACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PROGENICS PHARMACEUTICALS, INC. 2011-09-01 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-20110212053-A1 PHOSPHATIDYLINOSITOL 3 KINASE INHIBITORS PIK3CA, AKT1, PIK3R5 ATM 604/4885CLK1 511/4885DYRK1A 360/4885

“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.