SCHEMBL4882083

SCHEMBL4882083

Clc1ccc(-n2c(Cn3nccn3)nnc2-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
IDO1 P14902 3/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALPL P05186 1/20 0.39
HPGD P15428 1/20 0.39
TTK P33981 1/20 0.39
MAPK10 P53779 1/20 0.39
GRM4 Q14833 1/20 0.39
CDC7 O00311 4/20 0.38
ROCK2 O75116 2/20 0.38
MAP4K4 O95819 2/20 0.38
PIM1 P11309 2/20 0.38
CDK2 P24941 2/20 0.38
HIPK2 Q9H2X6 2/20 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
SCHEMBL8280791 0.72 GLA (0.44) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL4646480 0.70 NPC1 (0.48) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8281685 0.70 GLA (0.64) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL5381079 0.69 IDO1 (0.71) ALDH1A1GAAKDM4EIDO1ALPL
SCHEMBL315392 0.67 ALDH1A1 (0.59) MAPTKMT2AMEN1ALDH1A1GAA
SCHEMBL316709 0.66 TLR8 (0.60) MAPTKMT2AMEN1ALDH1A1
SCHEMBL4683406 0.65 AOC3 (0.43) ALDH1A1HPGD
SCHEMBL315724 0.64 KCNH2 (0.45) MAPTALDH1A1GAAKDM4EHPGD
SCHEMBL8282607 0.63 GLA (0.48) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL8279831 0.63 GLA (0.48) KMT2AMEN1ALDH1A1KDM4ELMNA

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-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US claimed
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4808/4885KMT2A 2146/4885MEN1 1843/4885

“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.