SCHEMBL5431900

SCHEMBL5431900

C#C[C@@H](C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30192680 1.00 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL1390651 1.00 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL1547216 1.00 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL30192877 1.00 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL7747146 0.82 TDP1 (0.50) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL7352195 0.82 TDP1 (0.50) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL11408262 0.80 TDP1 (0.53) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL963795 0.79 TDP1 (0.57) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL5421950 0.78 TDP1 (0.47) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL6656473 0.76 TDP1 (0.57) TDP1LMNACASP3ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
EP-4125831-A2 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2023-02-08 EP disclosed
US-11345703-B2 Substituted pyrazolo[1,5-a]pyrimidine macrocyclic compound SHENZHEN TARGETRX, INC. (CN) 2022-05-31 US disclosed
WO-2021195066-A2 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2021-09-30 WO disclosed
US-20210047330-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND SHENZHEN TARGETRX, INC. (CN) 2021-02-18 US disclosed
CN-111592541-A Macrocyclic kinase inhibitors and uses thereof 山东轩竹医药科技有限公司 2020-08-28 CN disclosed
WO-2019144885-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 深圳市塔吉瑞生物医药有限公司 2019-08-01 WO disclosed
US-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 US disclosed
US-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2005-01-13 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 (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-20050009845-A1 Thienopyrimidine compounds as protein tyrosine kinase inhibitors ERBB2, ERBB4, ERBB3 TDP1 675/4885LMNA 4738/4885CASP3 4801/4885
US-11345703-B2 Substituted pyrazolo[1,5-a]pyrimidine macrocyclic compound DMPK, MAPKAPK5, VRK2 TDP1 988/4885LMNA 4236/4885CASP3 878/4885
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 TDP1 1280/4885LMNA 1423/4885CASP3 4106/4885
US-20210047330-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND DMPK, MAPKAPK5, VRK2 TDP1 988/4885LMNA 4236/4885CASP3 878/4885
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 TDP1 4732/4885LMNA 3484/4885CASP3 3184/4885

“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.