Sugi Predict

Sugi Predict / Compounds / SCHEMBL5884240

SCHEMBL5884240

SCHEMBL5884240

NC(C[13C](=O)O)P(=O)(O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 4/20 0.40
▸ LAP3 P28838 4/20 0.39
▸ ANPEP P15144 3/20 0.39
▸ ERAP1 Q9NZ08 2/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTPRA P18433 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ NAPRT Q6XQN6 1/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GABBR2 O75899 1/20 0.36
▸ GABBR1 Q9UBS5 1/20 0.36
▸ CTSA P10619 1/20 0.36

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
SCHEMBL5670294 1.00 FDPS (0.40) FDPSLAP3ANPEPERAP1ERAP2
SCHEMBL6694214 0.78 MAPK1 (0.38) LAP3
SCHEMBL5750240 0.76 FDPS (0.45) FDPSLAP3ANPEPERAP1ERAP2
SCHEMBL5665372 0.76 PTPRA (0.45) FDPSCA1CA2PTPRALMNA
SCHEMBL6542374 0.73 ALPI (0.41) FDPSPTPRA
SCHEMBL5669955 0.70 FDPS (0.46) FDPSCA1CA2PTPRALMNA
SCHEMBL5060264 0.70 GGH (0.39) FDPSPTPRA
SCHEMBL6950889 0.69 ALDH1A1 (0.47) PTPRALMNANAPRTP4HTML3MBTL1
SCHEMBL1048956 0.69 ALDH1A1 (0.47) PTPRALMNANAPRTP4HTML3MBTL1
SCHEMBL5720927 0.69 ALDH1A1 (0.47) PTPRALMNANAPRTP4HTML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132427-B2 Quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-11-07 — — US disclosed
US-7019139-B2 Quinolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-28 — — US disclosed
US-7009054-B2 Quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-07 — — US disclosed
US-6960572-B2 Indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-11-01 — — US disclosed
US-6878697-B2 Phenylamino-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-04-12 — — US disclosed
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 — — US disclosed
US-20040167101-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 — — US disclosed
US-20040152671-A1 Novel quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2004-08-05 — — US disclosed
US-6713462-B2 ANTICANCER AGENTS; OSTEOPOROSIS; RHEUMATIC DISEASES ARIAD PHARMACEUTICALS, INC. 2004-03-30 — — US disclosed
US-6706699-B2 FOR THERAPY OF CANCER, OSTEOPOROSIS AND OTHER DISEASES INVOLVING UNTOWARD BONE RESORPTION E.G., PAGET'S DISEASE, PRIMARY AND SECONDARY HYPERPARATHYROIDISM, HUMORAL HYPERCALCEMIA OF MALIGNANCY ARIAD PHARMACEUTICALS, INC. 2004-03-16 — — US disclosed
US-20030130234-A1 Novel indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-07-10 — — US disclosed
US-20030114467-A1 Novel pyrazolo- and pyrrolo-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-19 — — US disclosed
US-20030114486-A1 Novel quinolinones and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-19 — — US disclosed
US-20030105115-A1 Novel pyridopyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-05 — — US disclosed
US-20030105065-A1 Novel quinolines and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-05 — — US disclosed
US-20030100572-A1 Novel pyridopyrimidones and uses thereof ARIAD PHARMACEUTICALS,INC. 2003-05-29 — — US disclosed
US-20030100573-A1 Novel quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-05-29 — — 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 (10 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-20030105065-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 FDPS 1705/4885LAP3 4328/4885ANPEP 4307/4885
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF DPYD, TYMP, DDX41 FDPS 513/4885LAP3 4140/4885ANPEP 3282/4885
US-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 FDPS 786/4885LAP3 4684/4885ANPEP 4160/4885
US-20030105115-A1 Novel pyridopyrimidines and uses thereof DPYD, RRM2B, RRM2 FDPS 271/4885LAP3 4647/4885ANPEP 4259/4885
US-20030100573-A1 Novel quinazolines and uses thereof UQCRB, NQO2, RAB7A FDPS 1903/4885LAP3 4307/4885ANPEP 3993/4885
US-20030114467-A1 Novel pyrazolo- and pyrrolo-pyrimidines and uses thereof TYMP, TYMS, DPYD FDPS 304/4885LAP3 4250/4885ANPEP 3435/4885
US-20030114486-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB FDPS 1812/4885LAP3 3935/4885ANPEP 2995/4885
US-20040152671-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 FDPS 1705/4885LAP3 4328/4885ANPEP 4307/4885
US-20030130234-A1 Novel indolinones and uses thereof RDX, UQCRB, DRD1 FDPS 1756/4885LAP3 4467/4885ANPEP 2627/4885
US-20040167101-A1 Novel quinolinones and uses thereof UGT2B7, RAB7A, UQCRB FDPS 1812/4885LAP3 3935/4885ANPEP 2995/4885

“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.