SCHEMBL4924382

SCHEMBL4924382

CCCN1Cc2nc3c(-c4cnn(C)c4)cccc3c(N)c2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ BRD4 O60885 1/20 0.40
▸ CHRM1 P11229 5/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL2660713 0.88 HRH4 (0.42) LCKBTKLMNAPARP1HTT
SCHEMBL2660707 0.86 CRHR1 (0.41) LMNAPARP1HTTPARP2
SCHEMBL2660637 0.86 LMNA (0.38) LCKBTKLMNAPARP1HTT
SCHEMBL2655841 0.85 DHPS (0.40) LCKBTKLMNAPARP1HTT
SCHEMBL2656723 0.85 GABRG2 (0.44) LCKBTKLMNAPARP1HTT
SCHEMBL2660737 0.85 ENPP1 (0.38) LCKBTKLMNAPARP1HTT
SCHEMBL2657821 0.84 LMNA (0.38) LCKBTKLMNAPARP1HTT
SCHEMBL2660678 0.84 GABRG2 (0.45) LMNAPARP1HTTPARP2
SCHEMBL2661277 0.84 LCK (0.43) LCKBTKBRD4CHRM1CHRM3
SCHEMBL4913959 0.83 GABRG2 (0.37) LCKBTKLMNAPARP1HTT

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 LCK 4253/4885BTK 2744/4885BRD4 1608/4885

“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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