SCHEMBL21385436

SCHEMBL21385436

CS(=O)(=O)N1CC=C(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CDK9 P50750 5/20 0.41
▸ CCNT1 O60563 4/20 0.41
▸ CLPP Q16740 4/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CFTR P13569 1/20 0.37
▸ AKT1 P31749 1/20 0.37
▸ MYLK Q15746 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL20593214 0.93 CCNT1 (0.38) C5AR1MEN1KMT2ACDK9CCNT1
SCHEMBL20593270 0.83 CDK9 (0.38) CDK9CCNT1TDO2RECQLSMN1; SMN2
SCHEMBL20593303 0.83 CDK9 (0.38) CDK9CCNT1TDO2RECQLSMN1; SMN2
SCHEMBL21385394 0.78 GRM5 (0.47) C5AR1KMT2AGAASMN1; SMN2
SCHEMBL20593194 0.78 ATR (0.51) C5AR1MEN1KMT2ACLPPCYP1A2
Trifluoroacetic Acid SCHEMBL20593344 0.77 KMT2A (0.39) C5AR1MEN1KMT2ACLPPGAA
SCHEMBL21385389 0.76 MEN1 (0.46) C5AR1MEN1KMT2ACLPPCYP1A2
SCHEMBL20593325 0.73 PRMT5 (0.35) CDK9CCNT1
SCHEMBL1911807 0.72 KMT2A (0.52) C5AR1MEN1KMT2ACLPPCYP1A2
Trifluoroacetic Acid SCHEMBL20593231 0.72 CLPP (0.40) C5AR1MEN1KMT2ACLPPCYP1A2

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-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-08-18 — — US disclosed
US-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-24 — — 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-10421765-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 C5AR1 3901/4885MEN1 3160/4885KMT2A 1160/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 C5AR1 3901/4885MEN1 3160/4885KMT2A 1160/4885

“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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