SCHEMBL20956353

SCHEMBL20956353

O=C1NCC2(CCCCC2)N1c1ccnc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.50
▸ CCND1 P24385 5/20 0.50
▸ CCND3 P30281 5/20 0.50
▸ CDK6 Q00534 5/20 0.50
▸ CCNT1 O60563 3/20 0.50
▸ CDK9 P50750 3/20 0.50
▸ CDK7 P50613 1/20 0.50
▸ CCNH P51946 1/20 0.50
▸ MNAT1 P51948 1/20 0.50
▸ IDH1 O75874 2/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ TRPV1 Q8NER1 8/20 0.33
▸ RPS6KA5 O75582 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.30
▸ CCNE1 P24864 2/20 0.30
▸ CDK2 P24941 2/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 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
SCHEMBL19402045 0.99 CDK4 (0.48) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956322 0.80 CCNT1 (0.52) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956374 0.80 CCND3 (0.54) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL19402043 0.78 RPS6KA5 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL14846570 0.77 IDH1 (0.56) IDH1
SCHEMBL20956355 0.75 CDK4 (0.39) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20677023 0.73 CDK4 (0.35) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20875127 0.72 CCNT1 (0.43) CDK4CCND1CCND3CDK6CCNT1
SCHEMBL20956336 0.72 CDK4 (0.58) CDK4CCND1CCND3CDK6IDH1
SCHEMBL16098386 0.69 TNKS (0.38) IDH1TRPV1RPS6KA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2020-09-10 — — US disclosed
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2020-09-10 — — US disclosed
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 — — US disclosed
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 — — US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2019-05-09 — — US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS 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-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP CDK4 40/4885CCND1 63/4885CCND3 169/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP CDK4 40/4885CCND1 63/4885CCND3 169/4885
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP CDK4 40/4885CCND1 63/4885CCND3 169/4885

“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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