SCHEMBL20959581

SCHEMBL20959581

Nc1cnc(Cl)nc1NC1(CNC(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
P2RX7 Q99572 6/20 0.31
KMT2A Q03164 1/20 0.30
SLC6A9 P48067 1/20 0.30

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
SCHEMBL21967075 0.86 KMT2A (0.34) P2RX7KMT2A
SCHEMBL20913354 0.86 P2RX7 (0.31) P2RX7KMT2A
SCHEMBL21967065 0.84 MEN1 (0.34) P2RX7KMT2A
SCHEMBL20980140 0.84 STK17B (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20959576 0.82 PIN1 (0.46) P2RX7
SCHEMBL20980139 0.81 KMT2A (0.35) KMT2A
SCHEMBL20956327 0.76 GNRHR (0.35) P2RX7
SCHEMBL20913363 0.76
SCHEMBL22977614 0.74 MAPK1 (0.34) P2RX7
SCHEMBL20835356 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858835-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2021-02-18 US disclosed
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents GI Therapeutics, Inc. (US) 2020-11-10 US disclosed
US-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2019-05-09 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-20190135811-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD HTR3E 4236/4885HTR3B 4048/4885HTR3A 4452/4885
US-20210047328-A1 PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS TYMP, TYMS, DPYD HTR3E 4236/4885HTR3B 4048/4885HTR3A 4452/4885
US-10829490-B2 Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents MKI67, DPYD, PCNA HTR3E 3827/4885HTR3B 3762/4885HTR3A 4137/4885

“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.