SCHEMBL21578429

SCHEMBL21578429

N#C/C(=C\c1cccc2cnccc12)c1nc2ccccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ PIP4K2A P48426 1/20 0.64
▸ KMT2A Q03164 9/20 0.64
▸ MEN1 O00255 7/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ THRB P10828 2/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NSD2 O96028 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ CDC7 O00311 1/20 0.49

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
SCHEMBL10476376 0.78 MEN1 (0.67) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL18301172 0.78 PIP4K2A (1.00) PIP4K2AKMT2AMEN1NPC1CLK2
SCHEMBL18301135 0.78 PIP4K2A (1.00) PIP4K2AKMT2AMEN1NPC1CLK2
SCHEMBL18301104 0.78 PIP4K2A (0.67) MAPTKDM4EPIP4K2AKMT2AMEN1
SCHEMBL18301103 0.78 PIP4K2A (0.67) MAPTKDM4EPIP4K2AKMT2AMEN1
SCHEMBL5594404 0.75 APP (0.64) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL27983608 0.74 MAPT (0.82) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL5594463 0.73 MEN1 (0.67) MAPTKDM4EKMT2AMEN1NPSR1
SCHEMBL20293921 0.72 PIP4K2A (0.74) PIP4K2AKMT2AMEN1NPC1CHEK1
SCHEMBL20293915 0.72 PIP4K2A (0.74) MAPTPIP4K2AKMT2AMEN1ALDH1A1

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-20190350964-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF NAT UNIV SINGAPORE (SG) 2019-11-21 — — 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-20190350964-A1 ANTI-CANCER COMPOUNDS AND USES THEREOF PIK3CD, PIK3CA, PI4KB MAPT 4442/4885KDM4E 1696/4885PIP4K2A 22/4885

“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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