SCHEMBL12434

SCHEMBL12434

Cc1cc2cccnc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
ALDH1A1 P00352 3/20 0.42
CCR1 P32246 3/20 0.40
CCR8 P51685 3/20 0.40
PDK1 Q15118 1/20 0.40
LIMK1 P53667 1/20 0.39
CCR5 P51681 2/20 0.39
PSMD14 O00487 1/20 0.39
COPS5 Q92905 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GMNN O75496 1/20 0.38
TP53 P04637 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MMP9 P14780 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
SCHEMBL13909528 0.77 CYP2A6 (0.56) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL12613816 0.76 CYP2A6 (0.51) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL30060005 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL16023618 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL25805441 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL24611854 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL2919083 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL1107219 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL12266347 0.75 CYP2A6 (0.55) CYP2A6ALDH1A1CCR1CCR8PDK1
SCHEMBL2737296 0.75 CYP2A6 (0.50) CYP2A6ALDH1A1CCR1CCR8PDK1

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 191 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2024-12-10 US disclosed
EP-4457224-A1 HETEROCYCLIC COMPOUNDS BeiGene Switzerland GmbH (CH) 2024-11-06 EP disclosed
US-20240327417-A1 HETEROCYCLIC COMPOUNDS BEIGENE SWITZERLAND GMBH (CH) 2024-10-03 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
WO-2023125681-A1 HETEROCYCLIC COMPOUNDS BEIGENE, LTD. (KY) 2023-07-06 WO disclosed
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation GULBA DIETRICH (DE) 2023-06-20 US disclosed
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation GULBA DIETRICH (DE) 2023-06-20 US disclosed
US-7186717-B2 Pyrrolidine derivatives as Factor Xa inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-06 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-7169795-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-01-30 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
US-7157470-B2 Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-02 US disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004041776-A2 SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-21 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-20240327417-A1 HETEROCYCLIC COMPOUNDS NFATC1, CD4, ACIN1 CYP2A6 3528/4885ALDH1A1 1006/4885CCR1 30/4885
US-12162888-B2 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CYP2A6 2374/4885ALDH1A1 2167/4885CCR1 4495/4885
US-11678659-B2 Use as rodenticides of compounds that inhibit blood coagulation PLAT, F2R, PLAUR CYP2A6 736/4885ALDH1A1 1602/4885CCR1 2245/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP2A6 3540/4885ALDH1A1 3748/4885CCR1 1697/4885

“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.