SCHEMBL21632461

SCHEMBL21632461

[CH2]c1ccc2cnc(C)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
CYP2A6 P11509 2/20 0.59
CCR1 P32246 3/20 0.40
CCR5 P51681 3/20 0.40
CCR8 P51685 2/20 0.40
IL5 P05113 1/20 0.38
UHRF1 Q96T88 2/20 0.35
RAB9A P51151 1/20 0.31
ABL1 P00519 1/20 0.31
PDPK1 O15530 1/20 0.30
CDK2 P24941 1/20 0.30
AKT1 P31749 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
SCHEMBL6845000 0.80 CYP1A2 (0.61) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL18266965 0.78 CYP1A2 (0.64) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL3065915 0.77 CYP2A6 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL6845001 0.77 CYP2A6 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL28862364 0.77 GRM4 (0.38) CYP1A2CYP2A6CDK2AKT1
SCHEMBL2320872 0.77 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL1028024 0.77 CYP2A6 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL1563936 0.77 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL7990724 0.77 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8
SCHEMBL19001524 0.77 CYP1A2 (0.57) CYP1A2CYP2A6CCR1CCR5CCR8

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
US-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
CN-107072985-A Therapeutic inhibiting compound 莱福斯希医药公司 2017-08-18 CN 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 CYP1A2 3187/4885CYP2A6 3683/4885CCR1 380/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 CYP1A2 3187/4885CYP2A6 3683/4885CCR1 380/4885

“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.