SCHEMBL25329264

SCHEMBL25329264

CC(C)(c1ccccc1)N1[C@@H]2C=C[C@H]1CNC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.42
SSTR4 P31391 2/20 0.39
BPTF Q12830 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
HRH1 P35367 1/20 0.33
SCN1A P35498 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA7 P36544 2/20 0.32
CHRNA4 P43681 2/20 0.32
HTR2C P28335 1/20 0.32
OPRM1 P35372 1/20 0.31
CHRNB4 P30926 2/20 0.31

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
SCHEMBL29343998 1.00 CYP2B6 (0.42) CYP2B6SSTR4BPTFMEN1LMNA
Trifluoroacetic Acid SCHEMBL27204232 0.88 CHRNA7 (0.42) CYP2B6SSTR4CYP2D6OPRK1KCNH2
SCHEMBL29936884 0.76 SSTR4 (0.40) CYP2B6SSTR4BPTFMEN1LMNA
SCHEMBL29344018 0.76 SSTR4 (0.40) CYP2B6SSTR4BPTFMEN1LMNA
SCHEMBL27221947 0.73 SMN1; SMN2 (0.38) CYP2B6LMNAKMT2AOPRK1KCNH2
SCHEMBL29937339 0.72 FUCA1 (0.45) MEN1KMT2AGBA1
SCHEMBL27158965 0.72 FUCA1 (0.45) MEN1KMT2AGBA1
SCHEMBL29344047 0.72 FUCA1 (0.45) MEN1KMT2AGBA1
SCHEMBL29414227 0.71 BPTF (0.50) CYP2B6SSTR4BPTFOPRK1CHRNB2
SCHEMBL29343999 0.70 SSTR4 (0.36) CYP2B6SSTR4MEN1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118556063-A Heterocyclic compound, pharmaceutical composition and application thereof 上海湃隆生物科技有限公司 2024-08-27 CN disclosed
US-20240270758-A1 PYRIDINO-OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ZHEJIANG GENFLEET THERAPEUTICS CO., LTD. (CN) 2024-08-15 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4332105-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-03-06 EP disclosed
WO-2023138583-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-27 WO disclosed
WO-2022228568-A1 PYRIDINO- OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 劲方医药科技(上海)有限公司 2022-11-03 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 (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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS CYP2B6 4108/4885SSTR4 4126/4885BPTF 2543/4885
US-20240270758-A1 PYRIDINO-OR PYRIMIDO-CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF KRAS, NRAS, BRAF CYP2B6 404/4885SSTR4 2296/4885BPTF 1759/4885

“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.