SCHEMBL12701418

SCHEMBL12701418

O=Cc1cnc(OCC2CC2)nc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.39
ACHE P22303 1/20 0.37
PARP15 Q460N3 4/20 0.35
PARP10 Q53GL7 4/20 0.35
PARP2 Q9UGN5 2/20 0.35
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
HPGD P15428 3/20 0.33
GRIN2B Q13224 1/20 0.32
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL12467052 0.77 ALDH1A1 (0.47) ACACBACHEPARP15PARP10PARP2
SCHEMBL18122046 0.76 ACACB (0.41) ACACBPARP15PARP10PARP2GRIN2B
SCHEMBL19464691 0.76 ACACB (0.38) ACACBACHEPARP15PARP10PARP2
SCHEMBL25700774 0.76 ACACB (0.38) ACACBACHEPARP15PARP10PARP2
SCHEMBL9931055 0.76 ACACB (0.38) ACACBACHEPARP15PARP10PARP2
SCHEMBL3718600 0.73 PARP15 (0.54) PARP15PARP10PARP2HPGDKDM4E
SCHEMBL18118645 0.73 EP300 (0.40) ACACBGRIN2B
SCHEMBL8314306 0.73 PARP15 (0.54) PARP15PARP10PARP2HPGDKDM4E
SCHEMBL20732648 0.73 TDP1 (0.45) ACACBGRIN2B
SCHEMBL12701542 0.73 ACACB (0.41) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137513-B Pyrimidine derivatives ASKA 制药株式会社 2022-03-01 CN disclosed
EP-3372589-B1 PYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2021-10-20 EP disclosed
US-10710967-B2 Pyrimidine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-07-14 US disclosed
US-20200071280-A1 PYRIMIDINE DERIVATIVE ASKA PHARMACEUTICAL CO., LTD. (JP) 2020-03-05 US disclosed
EP-3372589-A1 PYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2018-09-12 EP disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-8431704-B2 Quinoline or isoquinoline substituted P2X7 antagonists JANSSEN PHARMACEUTICA NV (BE) 2013-04-30 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 US disclosed
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS JANSSEN PHARMACEUTICA NV 2011-04-21 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 (3 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-20200071280-A1 PYRIMIDINE DERIVATIVE CXCR1, PTGS1, P2RY1 ACACB 3520/4885ACHE 915/4885PARP15 2739/4885
US-10710967-B2 Pyrimidine derivative CXCR1, PTGS1, P2RY1 ACACB 3520/4885ACHE 915/4885PARP15 2739/4885
US-20110092481-A1 QUINOLINE OR ISOQUINOLINE SUBSTITUTED P2X7 ANTAGONISTS P2RX7, P2RX1, P2RX3 ACACB 4691/4885ACHE 2111/4885PARP15 1464/4885

“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.