SCHEMBL23808291

SCHEMBL23808291

CC1(C)CCc2c(-c3cc4cc(C(=O)N5CCC(C(=O)OC(C)(C)C)CC5)ccc4[nH]3)n[nH]c2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.43
▸ PIP5K1C O60331 7/20 0.39
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KDR P35968 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ACACB O00763 5/20 0.34
▸ ACACA Q13085 4/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL12028513 0.89 ITK (0.44) ITKPIP5K1CKDRMEN1KMT2A
SCHEMBL12028453 0.87 ITK (0.47) ITKPIP5K1CRAB9ANPC1KDR
SCHEMBL12028506 0.85 ITK (0.49) ITKPIP5K1CRAB9ANPC1KDR
SCHEMBL22899288 0.85 ITK (0.45) ITKPIP5K1CKDRACACBACACA
SCHEMBL23808289 0.85 ITK (0.48) ITKPIP5K1CKDRMEN1KMT2A
SCHEMBL12028510 0.85 ITK (0.48) ITKPIP5K1CRAB9ANPC1KDR
SCHEMBL12028443 0.83 ITK (0.56) ITKPIP5K1CKDR
SCHEMBL24671204 0.83 ITK (0.49) ITKPIP5K1CMEN1KMT2AACACB
SCHEMBL30801267 0.83 ITK (0.49) ITKPIP5K1CMEN1KMT2AACACB
SCHEMBL12028517 0.82 ITK (0.50) ITKPIP5K1CKDRKMT2AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284627-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-09-16 — — 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-20210284627-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ITK 732/4885PIP5K1C 2200/4885RAB9A 3033/4885

“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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