SCHEMBL17604124

SCHEMBL17604124

OCCNc1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.46
KCNQ2 O43526 14/20 0.46
KCNE1 P15382 10/20 0.46
KCNQ1 P51787 10/20 0.46
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 2/20 0.43
TNF P01375 1/20 0.43
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
KCNH3 Q9ULD8 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 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
SCHEMBL19796165 0.82 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7662714 0.81 RRM2 (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL9220618 0.81 STK17A (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL19796124 0.79 MAPT (0.46) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL25191294 0.79 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7664958 0.78 RRM2 (0.47) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL12841596 0.78 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL9218436 0.78 STK17A (0.51)
SCHEMBL18779716 0.77 KCNH3 (0.40) ALDH1A1KDM4EGAAKCNH3POLB
SCHEMBL25687977 0.77 FDFT1 (0.45) ALDH1A1KDM4EGAAKCNH3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3459953-B1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO LTD (JP) 2021-06-30 EP disclosed
CN-109153681-B Novel 5H-pyrrolo [2,3-d ] pyrimidin-6 (7H) -one derivatives 大鹏药品工业株式会社 2021-06-04 CN disclosed
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-09-26 US disclosed
EP-3459953-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE Taiho Pharmaceutical Co., Ltd. (JP) 2019-03-27 EP disclosed
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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 (2 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-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A KCNQ3 3994/4885KCNQ2 3626/4885KCNE1 2797/4885
US-20190292190-A1 NOVEL 5H-PYRROLO[2,3-D]PYRIMIDIN-6(7H)-ONE DERIVATIVE RPS6KA1, RPS6KA3, MAPK9 KCNQ3 4369/4885KCNQ2 4303/4885KCNE1 3908/4885

“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.