SCHEMBL1617807

SCHEMBL1617807

Clc1cc(N2CCOCC2)nc(OCCc2ccccn2)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.72
SYK P43405 2/20 0.72
IRAK4 Q9NWZ3 2/20 0.72
BRSK1 Q8TDC3 1/20 0.72
FES P07332 1/20 0.58
FER P16591 1/20 0.58
FRK P42685 1/20 0.58
CAMK1D Q8IU85 1/20 0.58
PIKFYVE Q9Y2I7 1/20 0.58
PIK3CA P42336 10/20 0.55
PIK3CB P42338 2/20 0.46
PIK3CG P48736 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.46
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30273129 1.00 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL3560513 0.90 PIK3CA (0.66) TYK2SYKIRAK4BRSK1FES
SCHEMBL11929833 0.86 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110596 0.86 TYK2 (0.75) TYK2SYKIRAK4BRSK1FES
SCHEMBL12634088 0.85 TYK2 (0.70) TYK2SYKIRAK4BRSK1FES
SCHEMBL1877075 0.84 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL31025329 0.84 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL1616481 0.84 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL30273130 0.84 TYK2 (1.00) TYK2SYKIRAK4BRSK1FES
SCHEMBL1617732 0.83 TYK2 (0.61) TYK2SYKIRAK4BRSK1FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683596-B Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2023-02-10 CN claimed
CN-113683596-A Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2021-11-23 CN claimed
CN-113683596-B Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2023-02-10 CN disclosed
CN-113683596-A Pyrimidine tankyrase 2 inhibitor and preparation method and application thereof 上海应用技术大学 2021-11-23 CN disclosed
US-20180271873-A1 METHODS FOR TREATING VIRAL INFECTIONS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2018-09-27 US disclosed
WO-2016161176-A1 METHODS FOR TREATING VIRAL INFECTIONS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 WO disclosed
WO-2016161176-A1 METHODS FOR TREATING VIRAL INFECTIONS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-10-06 WO disclosed
EP-1458687-B1 PYRIMIDINE COMPOUNDS AS INTERLEUKIN-12 (IL-12) INHIBITORS SYNTA PHARMACEUTICALS CORP (US) 2012-01-11 EP disclosed
US-7923557-B2 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-12 US disclosed
US-7923557-B2 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-12 US disclosed
US-7923557-B2 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-12 US disclosed
US-7470681-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-12-30 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
US-20060122209-A1 Process for preparing trisubstituted pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US disclosed
WO-2006053112-A1 PROCESS FOR PREPARING TRISUBSTITUTED PYRIMIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO disclosed
US-20060030560-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-02-09 US disclosed
US-6958332-B2 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. (US) 2005-10-25 US disclosed
US-20040053937-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2004-03-18 US disclosed
US-6660733-B2 Induce immunology response SYNTA PHARMACEUTICALS CORP. 2003-12-09 US disclosed
US-20030114446-A1 Pyrimidine compounds SYNTA PHARMACEUTICALS CORP. 2003-06-19 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 (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-20060122209-A1 Process for preparing trisubstituted pyrimidine compounds TYMS, NUDT1, TYMP TYK2 1701/4885SYK 1920/4885IRAK4 3254/4885
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 TYK2 2409/4885SYK 3624/4885IRAK4 2390/4885
US-20180271873-A1 METHODS FOR TREATING VIRAL INFECTIONS HAVCR2, CCL11, EIF2AK2 TYK2 3663/4885SYK 2919/4885IRAK4 736/4885
US-20040053937-A1 Pyrimidine compounds CCNO, CNR1, CBR1 TYK2 1328/4885SYK 2584/4885IRAK4 2350/4885
US-20030114446-A1 Pyrimidine compounds CCNO, CNR1, CBR1 TYK2 1224/4885SYK 2693/4885IRAK4 2272/4885
US-20060030560-A1 Pyrimidine compounds CCNO, CCNC, TYMS TYK2 383/4885SYK 309/4885IRAK4 2984/4885

“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.