SCHEMBL20213964

SCHEMBL20213964

COC(=O)c1c(I)c(C)nn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(C=C(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
SIRT5 Q9NXA8 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.33
DHODH Q02127 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
SLC34A1 Q06495 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER1 P34995 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL28344327 0.90 ALDH1A1 (0.37) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20213979 0.87 ALDH1A1 (0.38) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20214039 0.85 CA12 (0.32) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20213997 0.83 KDM4E (0.36) ALDH1A1GAASIRT5KDM4EMEN1
SCHEMBL20214179 0.82 KDM4E (0.42) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20214002 0.80 ALDH1A1 (0.35) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20214104 0.76 ALDH1A1 (0.38) ALDH1A1NPC1GAASIRT5KDM4E
SCHEMBL20214022 0.76 PTGER1 (0.40) ALDH1A1KDM4EMEN1KMT2ADHODH
SCHEMBL28346707 0.76 PTGER1 (0.34) ALDH1A1NPC1GAAKDM4EMEN1
SCHEMBL29579567 0.76 PTGER1 (0.40) ALDH1A1KDM4EMEN1KMT2ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2023-03-09 US disclosed
US-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2022-05-10 US disclosed
US-11192887-B2 2021-12-07 US disclosed
CN-110603254-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2019-12-20 CN disclosed
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2019-11-14 US disclosed
EP-3548482-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bantam Pharmaceutical, LLC (US) 2019-10-09 EP disclosed
WO-2018102453-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BANTAM PHARMACEUTICAL, LLC (US) 2018-06-07 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 (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-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases KRAS, TP53, CCNI ALDH1A1 355/4885NPC1 4114/4885GAA 2520/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI ALDH1A1 355/4885NPC1 4114/4885GAA 2520/4885
US-11192887-B2 KRAS, TP53, CCNE1 ALDH1A1 207/4885NPC1 3987/4885GAA 1672/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS ALDH1A1 519/4885NPC1 4435/4885GAA 2329/4885

“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.