SCHEMBL21519832

SCHEMBL21519832

COc1ccc(Cc2ccc[nH]2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.42
▸ HTR2A P28223 3/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ GPR84 Q9NQS5 2/20 0.39
▸ MARS2 Q96GW9 2/20 0.38
▸ AHR P35869 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ BRS3 P32247 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28301168 0.74 LTA4H (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL3840431 0.74 LTA4H (0.50) SLC6A4HTR2AKCNH2MEN1KMT2A
SCHEMBL11377807 0.74 LTA4H (0.55) ALDH1A1
SCHEMBL23528205 0.73 CHRM2 (0.50) —
SCHEMBL4510419 0.71 ALDH1A1 (0.53) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL8340513 0.71 SLC6A4 (0.47) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5436691 0.71 SLC6A4 (0.48) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL13887881 0.70 SLC6A4 (0.68) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL11476835 0.70 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL12806377 0.70 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115996926-A Indole compounds as androgen receptor modulators 尼多生物科学有限公司 2023-04-21 — — CN disclosed
US-11014926-B2 Pyrrolo-, pyrazolo-, imidazo-pyrimidine and pyridine compounds that inhibit MNK1 and MNK2 EFFECTOR THERAPEUTICS, INC. (US) 2021-05-25 — — US disclosed
US-20190330216-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 OXFORD FINANCE LLC, AS COLLATERAL AGENT 2019-10-31 — — 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-20190330216-A1 PYRROLO-, PYRAZOLO-, IMIDAZO-PYRIMIDINE AND PYRIDINE COMPOUNDS THAT INHIBIT MNK1 AND MNK2 NEK9, NEK2, TYK2 SLC6A4 3918/4885HTR2A 2769/4885KCNH2 1544/4885
US-11014926-B2 Pyrrolo-, pyrazolo-, imidazo-pyrimidine and pyridine compounds that inhibit MNK1 and MNK2 NEK9, NEK2, TYK2 SLC6A4 3918/4885HTR2A 2769/4885KCNH2 1544/4885

“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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