SCHEMBL20320550

SCHEMBL20320550

Cc1nc(C(C)(C)C)n(-c2ccc(Cl)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PRKCZ Q05513 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20320329 0.85 PTGS2 (0.45) POLBSMN1; SMN2NPC1RAB9AGAA
SCHEMBL18134386 0.82 ATM (0.44) POLBSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL20320554 0.81 PKM (0.44) SMN1; SMN2GAAKMT2AMAPTMEN1
SCHEMBL20320556 0.80 CNR1 (0.39) RAB9APRKCZMAPTL3MBTL1CNR1
SCHEMBL20320623 0.78 KMT2A (0.53) POLBSMN1; SMN2NPC1RAB9AGAA
SCHEMBL28456766 0.75 KMT2A (0.43) POLBSMN1; SMN2NPC1RAB9AGAA
SCHEMBL20320458 0.72 CYP2A6 (0.43) SMN1; SMN2NPC1RAB9AMAPTALOX12
SCHEMBL25267352 0.71 POLB (0.41) POLBSMN1; SMN2NPC1RAB9AGAA
SCHEMBL20320553 0.69 KMT2A (0.47) POLBSMN1; SMN2NPC1RAB9AGAA
SCHEMBL14314274 0.69 PRKCZ (0.55) POLBPRKCZPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 — — US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 — — WO 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 (1 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS POLB 4074/4885SMN1; SMN2 4626/4885NPC1 4598/4885

“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.

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