SCHEMBL22555840

SCHEMBL22555840

COc1ccccc1-c1cc(C(C)C)nn1CCc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ GAA P10253 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTR1A P08908 7/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL29108787 0.80 HTR2A (0.43) GAAMAPTNPC1RAB9AMEN1
SCHEMBL28358874 0.78 HTR2A (0.48) GAAMAPTNPC1RAB9AMEN1
SCHEMBL18409341 0.66 RXRA (0.49) CDK4CCND1GAAMAPTMEN1
SCHEMBL27494000 0.66 PDGFRB (0.51) CDK4CCND1MAPTNPC1RAB9A
SCHEMBL735040 0.65 MEN1 (0.54) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL734207 0.65 HTR2A (0.52) GAAMAPTNPC1RAB9AMEN1
SCHEMBL27946629 0.65 IDO1 (0.70) CDK4CCND1GAAMAPTMEN1
SCHEMBL18409640 0.65 HTR1A (0.47) CDK4CCND1GAAMAPTMEN1
SCHEMBL25082478 0.63 HTR2A (0.66) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL4985934 0.63 HTR2A (0.77) MAPTMEN1KMT2AHTR1AHTR2A

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-11358969-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2022-06-14 — — US disclosed
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2020-10-22 — — 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-11358969-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 CDK4 2414/4885CCND1 4246/4885GAA 4164/4885
US-20200331917-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 CDK4 2414/4885CCND1 4246/4885GAA 4164/4885

“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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