SCHEMBL21030294

SCHEMBL21030294

COc1ncc(OC)c(C(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.37
P2RX2 Q9UBL9 11/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ACVR2A P27037 1/20 0.35
TGFBR2 P37173 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL13510193 0.82 P2RX3 (0.38) P2RX3P2RX2ALDH1A1CYP1A2
SCHEMBL19523196 0.80 P2RX3 (0.37) P2RX3P2RX2ACVR2ATGFBR2ALDH1A1
SCHEMBL22681422 0.80 P2RX3 (0.44) P2RX3P2RX2ACVR2ATGFBR2ALDH1A1
SCHEMBL13512493 0.80 CYP1A2 (0.36) P2RX3P2RX2ALDH1A1CYP1A2KMT2A
SCHEMBL21030194 0.78 SMPD3 (0.40) P2RX3P2RX2ACVR2ATGFBR2ALDH1A1
SCHEMBL21543468 0.78 HASPIN (0.39) P2RX3P2RX2ALDH1A1CYP1A2
SCHEMBL29038138 0.78 GAA (0.37) P2RX3P2RX2ALDH1A1CYP1A2
SCHEMBL13058600 0.78 CYP1A2 (0.33) P2RX3P2RX2ALDH1A1CYP1A2KMT2A
SCHEMBL24630682 0.76 P2RX3 (0.35) P2RX3P2RX2ACVR2ATGFBR2ALDH1A1
SCHEMBL3816071 0.72 KMT2A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11178871-B2 Herbicidal pyrimidine compounds BASF SE (DE) 2021-11-23 US disclosed
EP-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP disclosed
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2019-05-30 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-11178871-B2 Herbicidal pyrimidine compounds DPYD, TYMP, TYMS P2RX3 159/4885P2RX2 111/4885TUBB4A 432/4885
US-20190159453-A1 HERBICIDAL PYRIMIDINE COMPOUNDS DPYD, TYMP, TYMS P2RX3 159/4885P2RX2 111/4885TUBB4A 432/4885

“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.