Sugi Predict

Sugi Predict / Compounds / SCHEMBL6765074

SCHEMBL6765074

SCHEMBL6765074

COc1cc(N)c(C#N)c(-c2ccc(F)cc2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PC1 P35575 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SQOR Q9Y6N5 5/20 0.45
▸ FYN P06241 1/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ TUBB4A P04350 2/20 0.43
▸ TUBB P07437 2/20 0.43
▸ TUBA3C P0DPH7 2/20 0.43
▸ TUBA1B P68363 2/20 0.43
▸ TUBA4A P68366 2/20 0.43
▸ TUBB4B P68371 2/20 0.43
▸ TUBB3 Q13509 2/20 0.43
▸ TUBB2A Q13885 2/20 0.43
▸ TUBB8 Q3ZCM7 2/20 0.43
▸ TUBA3E Q6PEY2 2/20 0.43
▸ TUBA1A Q71U36 2/20 0.43
▸ TUBA1C Q9BQE3 2/20 0.43
▸ TUBB6 Q9BUF5 2/20 0.43

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
SCHEMBL6767155 0.85 ADORA2A (0.58) KDM4ESQORFYNADORA2AADORA1
SCHEMBL6772390 0.79 ABCB1 (0.42) G6PC1KDM4ETDP1SQORTUBB4A
SCHEMBL27594620 0.74 KDM4E (0.55) KDM4ETDP1SQORADORA2AADORA1
SCHEMBL5752518 0.72 ADORA2A (0.47) KDM4ESQORADORA2AADORA1TUBB4A
SCHEMBL25330855 0.72 KDM4E (0.41) G6PC1KDM4ETDP1SQORADORA2A
SCHEMBL5749526 0.70 ADORA2A (0.43) KDM4EADORA2AADORA1TUBB4ATUBB
SCHEMBL16121058 0.70 CYP3A4 (0.46) G6PC1TDP1FYNADORA2AADORA1
SCHEMBL18263010 0.70 CYP3A4 (0.44) G6PC1KDM4ETDP1FYNADORA2A
SCHEMBL16098959 0.68 CYP3A4 (0.43) G6PC1TDP1FYNADORA2AADORA1
SCHEMBL2211624 0.67 ALDH1A1 (0.46) G6PC1TDP1FYNADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750214-B2 PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COLLIS ALAN JOHN (US) 2004-06-15 — — US disclosed
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy PFIZER INC. 2003-11-27 — — US disclosed
US-6642242-B2 Antiproliferative agents to treat benign prostatic hyperplasia PFIZER INC. 2003-11-04 — — US disclosed
US-20020049322-A1 Quinoline and quinazoline compounds useful in therapy COLLIS ALAN JOHN (GB) 2002-04-25 — — US disclosed
US-6103738-A Quinoline and quinazoline compounds useful in therapy PFIZER INC. (US) 2000-08-15 — — US disclosed
EP-0877734-B1 QUINOLINE AND QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER RES & DEV (IE) 2000-07-12 — — EP disclosed
CN-1205693-A Quinoline and quinazoline compounds useful in therapy PFIZER RES & DEV (IE) 1999-01-20 — — 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-20020049322-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, IDH3B G6PC1 1889/4885KDM4E 2989/4885TDP1 2296/4885
US-20030220332-A1 Quinoline and quinazoline compounds useful in therapy NQO2, RFT1, ADRB3 G6PC1 1787/4885KDM4E 2944/4885TDP1 2350/4885

“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.