SCHEMBL20956322

SCHEMBL20956322

O=C1CN(c2ccnc(Cl)n2)C2(CCCCC2)CN1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.52
▸ CDK4 P11802 2/20 0.52
▸ CCND1 P24385 2/20 0.52
▸ CCND3 P30281 2/20 0.52
▸ CDK9 P50750 2/20 0.52
▸ CDK6 Q00534 2/20 0.52
▸ CDK5 Q00535 1/20 0.52
▸ CDK5R1 Q15078 1/20 0.52
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.32
▸ RPS6KA5 O75582 1/20 0.32

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
SCHEMBL20956353 0.80 CDK4 (0.50) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL19402045 0.79 CDK4 (0.48) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20956346 0.75 CDK4 (0.35) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20677023 0.70 CDK4 (0.35) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20956368 0.69 EIF2AK4 (0.36) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL20956374 0.69 CCND3 (0.54) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL14846570 0.68 IDH1 (0.56) —
SCHEMBL20991838 0.67 CCNT1 (0.48) CCNT1CDK4CCND1CCND3CDK9
SCHEMBL22414135 0.67 CDK4 (0.50) CDK4CCND1CCND3CDK6TRPV1
SCHEMBL20956355 0.67 CDK4 (0.39) CCNT1CDK4CCND1CCND3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020206034-A1 CELL CYCLE INHIBITING COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS G1 THERAPEUTICS, INC. (US) 2020-10-08 — — WO disclosed
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 CCNT1 72/4885CDK4 40/4885CCND1 63/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP CCNT1 72/4885CDK4 40/4885CCND1 63/4885
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP CCNT1 72/4885CDK4 40/4885CCND1 63/4885

“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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