SCHEMBL4921479

SCHEMBL4921479

CCCCN1Cc2nc3c(-c4cccnc4OC)cccc3c(N)c2C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 1/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ APLNR P35414 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32

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
SCHEMBL4922433 0.94 PIK3CA (0.36) PIK3CAGABRG2GABRB3GABRA2HRH4
SCHEMBL2656785 0.91 PIK3CA (0.37) PIK3CAGABRG2GABRB3GABRA2HRH4
SCHEMBL2657993 0.88 BRD9 (0.41) GABRG2GABRB3GABRA2MAPTCNR2
SCHEMBL4920766 0.87 NPC1 (0.38) NPC1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL2655786 0.84 KDM4E (0.40) PIK3CAMAPTIDH1WDR5
SCHEMBL2660720 0.83 GABRG2 (0.35) GABRG2GABRB3GABRA2NPC1TP53
SCHEMBL2655626 0.83 BRD9 (0.43) GABRG2GABRB3GABRA2TP53MAPT
SCHEMBL2661059 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA2TP53MAPT
SCHEMBL4917184 0.82 GABRG2 (0.47) GABRG2GABRB3GABRA2NPC1TP53
SCHEMBL4919219 0.82 HTT (0.36) GABRG2GABRB3GABRA2HRH4NPC1

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF PIK3CA 3396/4885GABRG2 592/4885GABRB3 332/4885

“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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