SCHEMBL29644968

SCHEMBL29644968

CC[C@H](CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 1.00
▸ CCNK O75909 9/20 1.00
▸ CDK12 Q9NYV4 9/20 1.00
▸ CDK9 P50750 8/20 1.00
▸ CCNE1 P24864 8/20 1.00
▸ CDK1 P06493 8/20 1.00
▸ CDK7 P50613 6/20 1.00
▸ CCNA2 P20248 6/20 1.00
▸ CDK5 Q00535 6/20 1.00
▸ DYRK1A Q13627 6/20 1.00
▸ CCNB1 P14635 5/20 1.00
▸ CCNT1 O60563 5/20 1.00
▸ CDK4 P11802 4/20 1.00
▸ CCND1 P24385 4/20 1.00
▸ CCNH P51946 4/20 1.00
▸ CDK5R1 Q15078 4/20 1.00
▸ MNAT1 P51948 2/20 1.00
▸ CCNA1 P78396 5/20 0.82
▸ CCNE2 O96020 2/20 0.82
▸ MAPK1 P28482 3/20 0.79

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
SCHEMBL9927174 1.00 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001902 1.00 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001905 1.00 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
Hydrochloric Acid SCHEMBL21177798 0.99 CDK2 (0.98) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL3690866 0.96 CDK2 (0.92) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL20383014 0.91 CDK2 (0.83) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL19705772 0.91 CDK2 (0.83) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL23683123 0.91 CDK5 (0.82) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL17628573 0.90 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1
SCHEMBL13001898 0.90 CDK2 (1.00) CDK2CCNKCDK12CDK9CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 — — US disclosed
EP-4256086-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS Cedars-Sinai Medical Center (US) 2023-10-11 — — EP disclosed
WO-2023059609-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
WO-2022159687-A1 PHENOTYPIC ASSAY TO IDENTIFY PROTEIN DEGRADERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-07-28 — — WO disclosed
WO-2022119842-A1 METHODS AND SYSTEMS OF STRATIFYING INFLAMMATORY DISEASE PATIENTS CEDARS-SINAI MEDICAL CENTER (US) 2022-06-09 — — WO 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 (1 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-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 CDK2 88/4885CCNK 83/4885CDK12 200/4885

“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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