Sugi Predict

Sugi Predict / Compounds / SCHEMBL584137

SCHEMBL584137

SCHEMBL584137

Cc1ncc(C(N)=O)c(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 5/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ IKBKB O14920 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SIRT3 Q9NTG7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 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
SCHEMBL17277740 0.84 POLB (0.46) LMNAKDM4EALDH1A1TDP1GABRP
SCHEMBL30406742 0.84 POLB (0.46) LMNAKDM4EALDH1A1TDP1GABRP
SCHEMBL1759179 0.84 GABRP (0.52) LMNAKDM4EALDH1A1HPGDTDP1
SCHEMBL12272538 0.82 NNMT (0.46) NNMTLMNASYKKDM4EHPGD
SCHEMBL11256406 0.80 LMNA (0.42) LMNAKDM4EALDH1A1
SCHEMBL12647583 0.79 LMNA (0.42) LMNAKDM4EALDH1A1HPGDGABRP
SCHEMBL3618934 0.79 LMNA (0.46) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL12663942 0.79 SMN1; SMN2 (0.40) LMNASYKKDM4EALDH1A1GAA
SCHEMBL2385337 0.79 P2RX3 (0.43) IKBKBKDM4EALDH1A1GLAGAA
SCHEMBL12575429 0.78 NNMT (0.45) NNMTSYKKDM4EALDH1A1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 — — EP claimed
CN-113912551-B Recyclable aromatic amine reagent and preparation and application thereof 浙江新和成股份有限公司 2023-04-18 — — CN disclosed
CN-113912551-A Recyclable aromatic amine reagent and preparation and application thereof 浙江新和成股份有限公司 2022-01-11 — — CN disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 — — US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 — — US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 — — US disclosed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 — — EP disclosed
EP-2417113-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES DSM IP ASSETS BV (NL) 2015-07-15 — — EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 — — US disclosed
CN-102438994-B Process for the preparation of pyrimidine derivatives DSM IP ASSETS BV 2015-04-29 — — CN disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 — — US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 — — US disclosed
EP-1363925-B8 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2007-04-25 — — EP disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 — — EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 — — US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 — — US disclosed
CN-1492874-A Macrolide antibiotics — 2004-04-28 — — CN disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 — — US disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 — — EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 — — 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 (7 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 NNMT 4038/4885LMNA 3754/4885SYK 1243/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 NNMT 4578/4885LMNA 1672/4885SYK 818/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 NNMT 4578/4885LMNA 1672/4885SYK 818/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 NNMT 4098/4885LMNA 3750/4885SYK 1241/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NNMT 3678/4885LMNA 3928/4885SYK 1641/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 NNMT 3678/4885LMNA 3928/4885SYK 1641/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 NNMT 4522/4885LMNA 1504/4885SYK 802/4885

“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.