Sugi Predict

Sugi Predict / Compounds / SCHEMBL3345160

SCHEMBL3345160

SCHEMBL3345160

C=CCNc1ccncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ HTT P42858 5/20 0.42
▸ SLC2A1 P11166 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 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
SCHEMBL2105071 0.78 — —
SCHEMBL1002291 0.74 SLC2A1 (0.58) HCAR3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11862008 0.74 — —
SCHEMBL26801053 0.74 — —
SCHEMBL29288613 0.74 — —
Methane SCHEMBL28026804 0.73 SLC2A1 (0.56) HCAR3ALDH1A1KDM4EHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL30481544 0.72 CYP2C9 (0.51) HCAR3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1839657 0.72 SLC2A1 (0.44) HCAR3ALDH1A1SLC2A1GAAMAPT
SCHEMBL88752 0.71 MAPT (0.41) HCAR3ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL1150196 0.71 KDM4E (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10109979-A — — None — — JP disclosed
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 — — US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 — — US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 — — EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 — — CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 — — US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 — — US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 — — CN disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 — — US disclosed
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 — — US disclosed
US-7722893-B2 Use of substitute 2,4-bis (alkylamino) pyrimidines or quinzolines as antimicrobials CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-05-25 — — US disclosed
EP-1648524-B1 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA HOLDING INC (CH) 2009-01-14 — — EP disclosed
US-20060188453-A1 Use of substitute 2,4-bis (alkylamino)pyrimidines CIBA SPECIALTY CHEMICALS CORP. 2006-08-24 — — US disclosed
EP-1648524-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS Ciba SC Holding AG (CH) 2006-04-26 — — EP disclosed
WO-2005011758-A2 USE OF SUBSTITUTED 2,4-BIS (ALKYLAMINO) PYRIMIDINES OR -QUINAZOLINES AS ANTIMICROBIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-02-10 — — WO disclosed
JP-H10109979-A PRODUCTION OF 4-ALKYLAMINOPYRIMIDINE DERIVATIVE UBE IND LTD 1998-04-28 — — JP disclosed
US-5696259-A 2,4-diamino-5-iodopyrimidines useful as pesticide intermediates FMC CORPORATION (US) 1997-12-09 — — US disclosed
US-5622954-A INSECTICIDE FMC CORPORATION (US) 1997-04-22 — — US disclosed
EP-0065811-B1 DISPERSE AZOPYRIMIDINE DYESTUFFS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 — — EP disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 — — EP 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-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK HCAR3 4144/4885ALDH1A1 2935/4885KDM4E 910/4885
US-20060188453-A1 Use of substitute 2,4-bis (alkylamino)pyrimidines PYM1, C1R, POLR1C HCAR3 86/4885ALDH1A1 2266/4885KDM4E 1720/4885

“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.