SCHEMBL22997993

SCHEMBL22997993

N#Cc1cnc(Cl)nc1NCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
HPGD P15428 2/20 0.44
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
SIRT5 Q9NXA8 2/20 0.39
PKM P14618 1/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 2/20 0.38
RAD52 P43351 1/20 0.38
CHEK1 O14757 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27502303 0.91 CSNK1A1 (0.51) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL4768640 0.85 POLB (0.49) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL4772159 0.82 CSNK1A1 (0.47) CSNK1A1CLK4ALDH1A1GAACCNA2
SCHEMBL4770462 0.80 ALDH1A1 (0.47) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL4766397 0.80 CSNK1A1 (0.51) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL1400319 0.80 STK17A (0.56) LMNASTK17BSTK17AKMT2ACYP1A2
SCHEMBL4765894 0.78 CSNK1A1 (0.50) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL4579364 0.78 SMN1; SMN2 (0.45) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL4765379 0.78 CSNK1A1 (0.44) CSNK1A1CLK4ALDH1A1KDM4EGAA
SCHEMBL2821095 0.77 STK17B (0.41) ALDH1A1LMNASTK17BSTK17ASIRT5

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
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-07 US disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
CN-111918863-B Heterocyclic compounds 武田药品工业株式会社 2024-01-05 CN disclosed
US-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-04-20 US disclosed
US-11584737-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-21 US disclosed
US-20210363130-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-25 US disclosed
EP-3782986-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-02-24 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 (4 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-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS CDK1, CDK12, CDK15 CSNK1A1 245/4885CLK4 500/4885ALDH1A1 4719/4885
US-11584737-B2 Heterocyclic compound CDK12, CDK1, CDK15 CSNK1A1 221/4885CLK4 487/4885ALDH1A1 4524/4885
US-20210363130-A1 HETEROCYCLIC COMPOUND CDK12, CDK1, CDK15 CSNK1A1 221/4885CLK4 487/4885ALDH1A1 4524/4885
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors CDK1, CDK12, CDK15 CSNK1A1 245/4885CLK4 500/4885ALDH1A1 4719/4885

“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.