SCHEMBL18637894

SCHEMBL18637894

O=C1NCC2(CCCC2)n2c1cc1cnc(NC3CCCCC3)nc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.61
▸ CDK4 P11802 18/20 0.61
▸ CCND1 P24385 18/20 0.61
▸ CCNE1 P24864 7/20 0.61
▸ CCND3 P30281 3/20 0.61
▸ CDK6 Q00534 3/20 0.61
▸ CCNT1 O60563 2/20 0.61
▸ CDK9 P50750 2/20 0.61
▸ CCNA2 P20248 1/20 0.61

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
SCHEMBL22570064 1.00 CDK2 (0.61) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551677 0.92 CDK2 (0.60) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551676 0.92 CDK2 (0.60) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22569966 0.91 CDK2 (0.57) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL15298252 0.91 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL18638036 0.91 CDK2 (0.56) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551668 0.91 CDK2 (0.68) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551658 0.91 CDK2 (0.68) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22570279 0.90 CDK2 (0.58) CDK2CDK4CCND1CCNE1CCND3
SCHEMBL22551670 0.90 CDK2 (0.67) CDK2CDK4CCND1CCNE1CCND3

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-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2023-08-03 — — US disclosed
US-11090306-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors G1 THERAPEUTICS, INC. 2021-08-17 — — US disclosed
US-11040042-B2 Transient protection of normal cells during chemotherapy G1 THERAPEUTICS, INC. (US) 2021-06-22 — — US disclosed
US-20200345742-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS, INC. (US) 2020-11-05 — — US disclosed
US-20190151311-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS G1 THERAPEUTICS, INC. (US) 2019-05-23 — — US disclosed
EP-2831080-B1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2017-03-15 — — EP 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 (5 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-20200345742-A1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY CDK6, CCNC, MCL1 CDK2 10/4885CDK4 6/4885CCND1 41/4885
US-20190151311-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS CDK4, RB1, BTK CDK2 16/4885CDK4 1/4885CCND1 47/4885
US-11090306-B2 Treatment of Rb-negative tumors using topoisomerase inhibitors in combination with cyclin dependent kinase 4/6 inhibitors RB1, CDK4, CDK6 CDK2 18/4885CDK4 2/4885CCND1 85/4885
US-20230241059-A1 ANTI-NEOPLASTIC COMBINATIONS AND DOSING REGIMENS USING CDK4/6 INHIBITOR COMPOUNDS TO TREAT RB-POSITIVE TUMORS CDK4, RB1, BTK CDK2 16/4885CDK4 1/4885CCND1 47/4885
US-11040042-B2 Transient protection of normal cells during chemotherapy CDK6, CCNC, MCL1 CDK2 10/4885CDK4 6/4885CCND1 41/4885

“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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