SCHEMBL19084512

SCHEMBL19084512

Cc1ccc2c(C)nn(C)c2c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ SYK P43405 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NQO2 P16083 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ TSHR P16473 2/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CCR8 P51685 1/20 0.30

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
SCHEMBL25667934 0.80 SYK (0.33) SYKGLAHPGDAPEX1RECQL
SCHEMBL13106272 0.80 ADORA2A (0.39) ADORA2AADORA2BMAPT
SCHEMBL25696157 0.77 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL25700482 0.77 ADORA2A (0.37) ADORA2AADORA2B
SCHEMBL25669810 0.77 GAA (0.42) SYKGLAHPGDAPEX1RECQL
SCHEMBL20215514 0.75 ALKBH5 (0.46) ADORA2AADORA2BRECQLMAPK1ALDH1A1
SCHEMBL13106194 0.72 ADORA2A (0.39) ADORA2AADORA2BMAPT
SCHEMBL24122035 0.71 ADORA2A (0.42) ADORA2AADORA2BHPGDAPEX1MAPK1
SCHEMBL12258284 0.71 CASP1 (0.43) ADORA2AADORA2BHPGDTDP1MAPK1
SCHEMBL21793466 0.70 ALKBH5 (0.39) SYKGLAHPGDAPEX1RECQL

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-9988357-B2 Methods for preparation of quinazoline derivatives ARAXES PHARMA LLC (US) 2018-06-05 — — US disclosed
US-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES ARAXES PHARMA LLC 2017-07-06 — — 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-20170190672-A1 METHODS FOR PREPARATION OF QUINAZOLINE DERIVATIVES TTBK2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TTBK1 ADORA2A 727/4885ADORA2B 58/4885SYK 1996/4885

“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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