SCHEMBL3948804

SCHEMBL3948804

Nc1c(CO)cc(Cl)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PDXK O00764 1/20 0.33
CHRNE Q04844 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.31
RECQL P46063 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSP90AB1 P08238 1/20 0.31
IKBKB O14920 1/20 0.30

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
SCHEMBL22902576 0.80 IKBKB (0.44) KDM4EALDH1A1PDXKKMT2AMEN1
SCHEMBL29790092 0.80 IKBKB (0.44) KDM4EALDH1A1PDXKKMT2AMEN1
SCHEMBL28972297 0.79 SMN1; SMN2 (0.39) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL22696331 0.79 SMN1; SMN2 (0.39) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL6441695 0.78 PDXK (0.35) CYP2D6CYP2C19KDM4EALDH1A1PDXK
SCHEMBL903627 0.77 PDXK (0.42) CYP2D6CYP2C19KDM4EALDH1A1PDXK
SCHEMBL8037329 0.76 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AHTTIKBKB
SCHEMBL25229692 0.76 KDM4E (0.37) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL30460853 0.76 KDM4E (0.37) KDM4EALDH1A1KMT2AMEN1HTT
SCHEMBL18703689 0.75 KDM4E (0.33) CYP2D6CYP2C19KDM4EALDH1A1PDXK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-22 US disclosed
EP-4524135-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2025-03-19 EP disclosed
CN-119212988-A Kinesin KIF18A inhibitor and application thereof 上海湃隆生物科技有限公司 2024-12-27 CN disclosed
EP-4450501-A1 CDK9 INHIBITOR AND USE THEREOF TransThera Sciences (Nanjing), Inc. (CN) 2024-10-23 EP disclosed
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed
CN-116354957-A CDK9 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2023-06-30 CN disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
WO-2023109959-A1 CDK9 INHIBITOR AND USE THEREOF 药捷安康(南京)科技股份有限公司 2023-06-22 WO disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
CN-101489989-A Pentadiene amide derivative KYOWA HAKKO KIRIN CO LTD (JP) 2009-07-22 CN disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 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 (2 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP2D6 179/4885CYP2C19 702/4885KDM4E 212/4885
US-20250163043-A1 CDK9 INHIBITOR AND USE THEREOF CDK9, CDK19, CDKL1 CYP2D6 1924/4885CYP2C19 658/4885KDM4E 510/4885

“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.