SCHEMBL2979804

SCHEMBL2979804

O=C(O)C=CCCN1CCCC(F)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 9/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2979800 1.00 SLC6A1 (0.39) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL2979052 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2979053 0.84 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2973178 0.82 GABRR1 (0.33) LMNATSHR
SCHEMBL2973176 0.82 GABRR1 (0.33) LMNATSHR
SCHEMBL31124157 0.77 SLC6A1 (0.35) SLC6A1ALDH1A1LMNACYP1A2CYP2D6
SCHEMBL31124629 0.77 SMN1; SMN2 (0.44) SLC6A1ALDH1A1LMNACYP1A2
SCHEMBL2978033 0.77 CYP1A2 (0.47) ALDH1A1CYP1A2
SCHEMBL2978029 0.77 CYP1A2 (0.47) ALDH1A1CYP1A2
SCHEMBL2976139 0.77 CYP1A2 (0.47) ALDH1A1CYP1A2

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-7772243-B2 4-phenylamino-quinazolin-6-yl-amides WARNER-LAMBERT COMPANY LLC (US) 2010-08-10 US claimed
JP-4205757-B2 2009-01-07 JP claimed
JP-2007536368-A 2007-12-13 JP claimed
EP-1746999-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES Warner-Lambert Company LLC (US) 2007-01-31 EP claimed
WO-2005107758-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO claimed
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 claimed
US-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. 2023-01-05 US disclosed
WO-2021035096-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES KUMQUAT BIOSCIENCES INC. (US) 2021-02-25 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20230001008-A1 COMPOSITIONS AND METHODS FOR TARGETING CELLULAR MOLECULES CD2BP2, CD47, CD74 SLC6A1 4739/4885ALDH1A1 4756/4885LMNA 2275/4885
US-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 SLC6A1 2431/4885ALDH1A1 2418/4885LMNA 1779/4885
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 SLC6A1 4662/4885ALDH1A1 2971/4885LMNA 1043/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 SLC6A1 2431/4885ALDH1A1 2418/4885LMNA 1779/4885

“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.