SCHEMBL2000322

SCHEMBL2000322

Nc1ncnc2cc[c]cc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.53
PI4K2B Q8TCG2 2/20 0.53
PI4K2A Q9BTU6 2/20 0.53
PI4KB Q9UBF8 2/20 0.53
MAP4K4 O95819 17/20 0.43
IP6K1 Q92551 1/20 0.40

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
SCHEMBL478773 0.84 PI4KA (0.53) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL5896802 0.76 ABCG2 (0.34) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL3820902 0.72 DCPS (0.53)
SCHEMBL8490190 0.72 NCF1 (0.53)
SCHEMBL3820125 0.72 CYP1A2 (0.43) MAP4K4
4-Aminoquinazoline SCHEMBL31377585 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL142513 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
4-Aminoquinazoline SCHEMBL29363315 0.70 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMAP4K4
Water SCHEMBL28851833 0.69 MAP4K4 (0.64) PI4KAPI4K2BPI4K2API4KBMAP4K4
SCHEMBL6163081 0.69 PI4KA (0.36) PI4KAPI4K2BPI4K2API4KBMAP4K4

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 124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49934-E1 Inhibitors of cellular metabolic processes SERVIER PHARMACEUTICALS LLC (US) 2024-04-23 US claimed
CN-109890822-B Inhibitors of cellular metabolic processes 安吉奥斯医药品有限公司 2022-08-30 CN claimed
US-10800782-B2 Inhibitors of cellular metabolic processes Agios Pharmaceutical, Inc. (US) 2020-10-13 US claimed
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2019-08-01 US claimed
US-10329298-B2 Inhibitors of cellular metabolic processes AGIOS PHARMACEUTICALS, INC. (US) 2019-06-25 US claimed
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES SERVIER PHARMACEUTICALS LLC 2018-03-22 US claimed
WO-2018039972-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES AGIOS PHARMACEUTICALS, INC. (US) 2018-03-08 WO claimed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP claimed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US claimed
US-6960595-B2 5-6 to 5-7 Heterobicycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-01 US claimed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP claimed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US claimed
WO-2004043940-A1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-05-27 WO claimed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US claimed
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP claimed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP claimed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO claimed

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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI PI4KA 4139/4885PI4K2B 4180/4885PI4K2A 4393/4885
US-10329298-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 PI4KA 2816/4885PI4K2B 2212/4885PI4K2A 2560/4885
US-20190233424-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 PI4KA 2816/4885PI4K2B 2212/4885PI4K2A 2560/4885
US-10800782-B2 Inhibitors of cellular metabolic processes MNAT1, MAT2A, PCK2 PI4KA 2816/4885PI4K2B 2212/4885PI4K2A 2560/4885
US-20180079753-A1 INHIBITORS OF CELLULAR METABOLIC PROCESSES MNAT1, MAT2A, PCK2 PI4KA 2816/4885PI4K2B 2212/4885PI4K2A 2560/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI PI4KA 3109/4885PI4K2B 3128/4885PI4K2A 3604/4885

“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.