SCHEMBL21385389

SCHEMBL21385389

C1=C(c2ncnc3c2CN(Cc2ccccc2)CC3)CCNC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PRMT5 O14744 2/20 0.44
▸ C5AR1 P21730 1/20 0.43
▸ CLPP Q16740 7/20 0.43
▸ CYP1A2 P05177 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PNMT P11086 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
Trifluoroacetic Acid SCHEMBL20593231 0.92 CLPP (0.40) MEN1KMT2APRMT5C5AR1CLPP
SCHEMBL21385436 0.76 C5AR1 (0.42) MEN1KMT2AC5AR1CLPPCYP1A2
SCHEMBL30767848 0.75 KMT2A (0.53) MEN1KMT2AC5AR1CLPPGAA
SCHEMBL322777 0.75 KMT2A (0.53) MEN1KMT2AC5AR1CLPPGAA
SCHEMBL2868214 0.74 KMT2A (0.59) MEN1KMT2AC5AR1CLPPGAA
SCHEMBL14872729 0.74 KMT2A (0.52) MEN1KMT2AC5AR1CLPPCYP1A2
SCHEMBL1911807 0.74 KMT2A (0.52) MEN1KMT2AC5AR1CLPPCYP1A2
SCHEMBL1911808 0.74 KMT2A (0.52) MEN1KMT2AC5AR1CLPPCYP1A2
Trifluoroacetic Acid SCHEMBL20593344 0.74 KMT2A (0.39) MEN1KMT2AC5AR1CLPPGAA
SCHEMBL2845073 0.72 MKNK1 (0.54) MEN1KMT2AC5AR1CLPPNPC1

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 MEN1 3160/4885KMT2A 1160/4885PRMT5 810/4885
US-10745420-B2 Tetrahydropyrido[4,3-d]pyrimidine inhibitors of ATR kinase ATR, DTYMK, CHEK1 MEN1 3160/4885KMT2A 1160/4885PRMT5 810/4885

“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.

Send feedback