Sugi Predict

Sugi Predict / Compounds / SCHEMBL20177164

SCHEMBL20177164

SCHEMBL20177164

Bc1c(B)c(/C=c2\[nH]c(=O)/c(=C/c3nc[nH]c3C(C)(C)C)[nH]c2=O)c(B)c(B)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ RAF1 P04049 1/20 0.59
▸ CDK1 P06493 1/20 0.59
▸ CCNB1 P14635 1/20 0.59
▸ TUBB4A P04350 2/20 0.58
▸ TUBB P07437 2/20 0.58
▸ TUBA3C P0DPH7 2/20 0.58
▸ TUBA1B P68363 2/20 0.58
▸ TUBA4A P68366 2/20 0.58
▸ TUBB4B P68371 2/20 0.58
▸ TUBB3 Q13509 2/20 0.58
▸ TUBB2A Q13885 2/20 0.58
▸ TUBB8 Q3ZCM7 2/20 0.58
▸ TUBA3E Q6PEY2 2/20 0.58
▸ TUBA1A Q71U36 2/20 0.58
▸ TUBA1C Q9BQE3 2/20 0.58
▸ TUBB6 Q9BUF5 2/20 0.58
▸ TUBB2B Q9BVA1 2/20 0.58

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
SCHEMBL20177175 0.92 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL20081411 0.90 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL20081618 0.83 CYP1A2 (0.59) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL20177295 0.82 TUBB4A (0.41) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL23316789 0.82 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL20081634 0.82 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL30743906 0.82 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL30743908 0.80 TUBB4A (0.82) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL30743914 0.78 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19RAF1CDK1
SCHEMBL79813 0.78 CYP1A2 (0.69) CYP1A2CYP2C9CYP2C19RAF1CDK1

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-10434098-B2 Deuterated dehydrophenylahistin compounds and preparation method thereof and use thereof in preparation of anti-tumor drugs MARINE BIOMEDICAL RESEARCH INSTITUTE OF QINGDAO CO., LTD. (CN) 2019-10-08 — — US disclosed
US-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS SHENZHEN HUAHONG MARINE BIOMEDICINE CO., LTD (CN) 2018-05-24 — — 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-10434098-B2 Deuterated dehydrophenylahistin compounds and preparation method thereof and use thereof in preparation of anti-tumor drugs DHPS, TUBB1, TUBB CYP1A2 827/4885CYP2C9 1800/4885CYP2C19 964/4885
US-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS DHPS, DHODH, DHFR CYP1A2 916/4885CYP2C9 1969/4885CYP2C19 1122/4885

“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.