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Sugi Predict / Compounds / SCHEMBL26322

SCHEMBL26322

SCHEMBL26322

CCC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)C(C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.80
▸ NMUR2 Q9GZQ4 3/20 0.63
▸ NMUR1 Q9HB89 3/20 0.63
▸ TFPI P10646 3/20 0.63
▸ CALCR P30988 4/20 0.62
▸ NPY2R P49146 5/20 0.62
▸ NPY4R P50391 5/20 0.62
▸ NPY5R Q15761 5/20 0.62
▸ NPY1R P25929 4/20 0.62

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
SCHEMBL26323 1.00 F2 (0.80) F2NMUR2NMUR1TFPICALCR
SCHEMBL30176470 0.90 CALCR (0.73) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL31182791 0.90 CALCR (0.71) F2CALCRNPY2RNPY1R
SCHEMBL8816036 0.89 CALCR (0.75) F2TFPICALCRNPY2RNPY4R
SCHEMBL30883236 0.89 F2 (0.69) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL31182473 0.89 NPY2R (0.70) F2TFPICALCRNPY2RNPY4R
SCHEMBL30495758 0.89 CALCR (0.72) F2TFPICALCRNPY2RNPY4R
SCHEMBL30607329 0.89 F2 (0.68) F2NMUR2NMUR1CALCRNPY1R
SCHEMBL31182622 0.88 CALCR (0.72) F2CALCRNPY2RNPY4RNPY5R
SCHEMBL30721659 0.88 CALCR (0.76) F2CALCRNPY2RNPY4RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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-20100190977-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 F2 4091/4885NMUR2 423/4885NMUR1 379/4885
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 F2 3367/4885NMUR2 1308/4885NMUR1 906/4885
US-20130274275-A1 4-PHENYLAMINO-QUINAZOLIN-6-YL-AMIDES HRH4, HRH3, HRH2 F2 4091/4885NMUR2 423/4885NMUR1 379/4885

“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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