SCHEMBL3880772

SCHEMBL3880772

c1ccc(CN(Cc2ccccc2)n2cccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.51
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
AOC3 Q16853 1/20 0.43
CA2 P00918 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2944879 0.69 ALDH1A1 (0.55) ALDH1A1TSHRAOC3CA2CARM1
SCHEMBL4973158 0.69 CYP19A1 (0.45) CYP19A1ALDH1A1TSHRAOC3CYP2C19
SCHEMBL3271148 0.68 TSHR (0.60) ALDH1A1TSHRAOC3CA2CARM1
SCHEMBL134524 0.68 TSHR (0.60) ALDH1A1TSHRAOC3CA2CARM1
SCHEMBL2389512 0.67 SIGMAR1 (0.47) ALDH1A1TSHRCA2CYP2C19
Bromide SCHEMBL11212819 0.66 CNR2 (0.58) ALDH1A1TSHRAOC3CA2CARM1
Hydrochloric Acid SCHEMBL2137949 0.66 CNR2 (0.58) ALDH1A1TSHRAOC3CA2CARM1
Ammonia Solution, Strong SCHEMBL1348044 0.66 CNR2 (0.58) ALDH1A1TSHRAOC3CA2CARM1
SCHEMBL12049793 0.66 CNR2 (0.64) ALDH1A1TSHRAOC3CA2CARM1
Bromide SCHEMBL6760453 0.66 CNR2 (0.58) ALDH1A1TSHRAOC3CA2CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117835718-A White light organic electroluminescent composition and application thereof 深圳大学 2024-04-05 CN claimed
US-7504521-B2 Methods for the preparation of pyrrolotriazine compounds BRISTOL-MYERS SQUIBB CO. (US) 2009-03-17 US disclosed
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
US-20060030708-A1 Methods for the preparation of pyrrolotriazine compounds BRISTOL-MYERS SQUIBB COMPANY 2006-02-09 US disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 WO 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-20060030708-A1 Methods for the preparation of pyrrolotriazine compounds SDHB, SDHA, DHPS CYP19A1 843/4885ALDH1A1 1708/4885TSHR 1541/4885

“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.