SCHEMBL25301

SCHEMBL25301

COC(=O)C=CCN1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 2/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ EGFR P00533 1/20 0.37
▸ TNF P01375 1/20 0.36
▸ ELANE P08246 5/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BTK Q06187 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL25300 1.00 HCAR2 (0.43) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL16140874 0.98 HCAR2 (0.44) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL30622827 0.94 HCAR2 (0.44) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL5150593 0.92 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL5150589 0.92 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL5150587 0.92 HCAR2 (0.36) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL7407410 0.85 MAPT (0.36) ALDH1A1EGFRELANEMEN1CYP2C19
SCHEMBL30153938 0.84 HCAR2 (0.41) HCAR2KEAP1NFE2L2TNFMEN1
Hydrochloric Acid SCHEMBL7407406 0.83 ELANE (0.36) ALDH1A1TDP1ELANEMEN1CYP2C19
SCHEMBL6621854 0.82 MAPT (0.45) HCAR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 — — US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 — — US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 — — US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 — — WO disclosed
US-8623883-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2014-01-07 — — US disclosed
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC 2013-10-17 — — US disclosed
US-8466165-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2013-06-18 — — US disclosed
EP-1746999-B1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER LAMBERT CO (US) 2011-11-16 — — EP disclosed
US-20110262877-A1 HEAT TREATMENT APPARATUS IHI CORPORATION (JP) 2011-10-27 — — US disclosed
US-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 — — US disclosed
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES PFIZER INC. 2010-07-29 — — US disclosed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 — — EP disclosed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 — — WO disclosed
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis PFIZER INC 2005-11-10 — — US disclosed
EP-0625979-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-11-30 — — EP disclosed
WO-1993015073-A1 AZABRICYCLIC COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 — — WO 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 (6 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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 HCAR2 748/4885KEAP1 497/4885NFE2L2 2125/4885
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 HCAR2 150/4885KEAP1 336/4885NFE2L2 434/4885
US-20050250761-A1 such as -Piperidin-1-yl-but-2-enoic acid [4(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yl]-amide, used as tyrosine kinase inhibitors, for the prevention of proliferative diseases, including cancer, atherosclerosis, restenosis, endometriosis and psoriasis JAK1, JAK2, EDNRA HCAR2 10/4885KEAP1 347/4885NFE2L2 683/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A HCAR2 711/4885KEAP1 398/4885NFE2L2 1694/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 HCAR2 748/4885KEAP1 497/4885NFE2L2 2125/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 HCAR2 150/4885KEAP1 336/4885NFE2L2 434/4885

“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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