SCHEMBL21475580

SCHEMBL21475580

Cc1cccc(Cc2cncnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.46
▸ LTA4H P09960 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ CYP3A4 P08684 5/20 0.43
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2D6 P10635 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ DAO P14920 1/20 0.42
▸ FYN P06241 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30000562 0.83 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL1263547 0.83 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL29459538 0.83 TAAR1 (0.60) TAAR1LTA4HIDO1DAOACHE
SCHEMBL9923549 0.83 NR1D1 (0.48) CYP11B1CYP11B2CYP3A4CYP1A2CYP2D6
SCHEMBL8093804 0.79 TAAR1 (0.56) TAAR1LTA4HIDO1DAOACHE
SCHEMBL11539964 0.78 LTA4H (0.49) TAAR1LTA4HIDO1CYP11B1CYP11B2
SCHEMBL25177952 0.78 TAAR1 (0.43) TAAR1LTA4HIDO1CYP11B1CYP11B2
SCHEMBL2938820 0.77 CALM1 (0.57) TAAR1LTA4HIDO1TSHRDAO
SCHEMBL30674456 0.77 CALM1 (0.57) TAAR1LTA4HIDO1TSHRDAO
SCHEMBL28778933 0.77 PNMT (0.48) GRM5TAAR1IDO1CYP11B1CYP11B2

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-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2022-11-29 — — US disclosed
US-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-10-17 — — 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 (2 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-20190315675-A1 AROMATIC AMINE DERIVATIVES, PREPARATION METHODS THEREFOR, AND USES THEREOF SLC7A1, WEE1, SLC7A5 GRM5 4167/4885TAAR1 2026/4885LTA4H 1148/4885
US-11512039-B2 Aromatic amine derivatives, preparation methods therefor, and uses thereof SLC7A1, WEE1, SLC7A5 GRM5 4167/4885TAAR1 2026/4885LTA4H 1148/4885

“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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